WorldWideScience

Sample records for composition-dependent sph model

  1. Numerical simulation of lava flow using a GPU SPH model

    Directory of Open Access Journals (Sweden)

    Eugenio Rustico

    2011-12-01

    Full Text Available A smoothed particle hydrodynamics (SPH method for lava-flow modeling was implemented on a graphical processing unit (GPU using the compute unified device architecture (CUDA developed by NVIDIA. This resulted in speed-ups of up to two orders of magnitude. The three-dimensional model can simulate lava flow on a real topography with free-surface, non-Newtonian fluids, and with phase change. The entire SPH code has three main components, neighbor list construction, force computation, and integration of the equation of motion, and it is computed on the GPU, fully exploiting the computational power. The simulation speed achieved is one to two orders of magnitude faster than the equivalent central processing unit (CPU code. This GPU implementation of SPH allows high resolution SPH modeling in hours and days, rather than in weeks and months, on inexpensive and readily available hardware.

  2. SPH Modelling of Sea-ice Pack Dynamics

    Science.gov (United States)

    Staroszczyk, Ryszard

    2017-12-01

    The paper is concerned with the problem of sea-ice pack motion and deformation under the action of wind and water currents. Differential equations describing the dynamics of ice, with its very distinct mateFfigrial responses in converging and diverging flows, express the mass and linear momentum balances on the horizontal plane (the free surface of the ocean). These equations are solved by the fully Lagrangian method of smoothed particle hydrodynamics (SPH). Assuming that the ice behaviour can be approximated by a non-linearly viscous rheology, the proposed SPH model has been used to simulate the evolution of a sea-ice pack driven by wind drag stresses. The results of numerical simulations illustrate the evolution of an ice pack, including variations in ice thickness and ice area fraction in space and time. The effects of different initial ice pack configurations and of different conditions assumed at the coast-ice interface are examined. In particular, the SPH model is applied to a pack flow driven by a vortex wind to demonstrate how well the Lagrangian formulation can capture large deformations and displacements of sea ice.

  3. Impacts modeling using the SPH particulate method. Case study

    International Nuclear Information System (INIS)

    Debord, R.

    1999-01-01

    The aim of this study is the modeling of the impact of melted metal on the reactor vessel head in the case of a core-meltdown accident. Modeling using the classical finite-element method alone is not sufficient but requires a coupling with particulate methods in order to take into account the behaviour of the corium. After a general introduction about particulate methods, the Nabor and SPH (smoothed particle hydrodynamics) methods are described. Then, the theoretical and numerical reliability of the SPH method is determined using simple cases. In particular, the number of neighbours significantly influences the preciseness of calculations. Also, the mesh of the structure must be adapted to the mesh of the fluid in order to reduce the edge effects. Finally, this study has shown that the values of artificial velocity coefficients used in the simulation of the BERDA test performed by the FZK Karlsruhe (Germany) are not correct. The domain of use of these coefficients was precised during a low speed impact. (J.S.)

  4. Modelling by the SPH method of the impact of a shell containing a fluid

    International Nuclear Information System (INIS)

    Maurel, B.

    2008-01-01

    The aim of this work was to develop a numerical simulation tool using a mesh-less approach, able to simulate the deformation and the rupture of thin structures under the impact of a fluid. A model of thick mesh-less shell (Mindlin-Reissner) based on the SPH method has then been carried out. A contact algorithm has moreover been perfected for the interactions between the structure and the fluid, it is modelled too by the SPH method. These studies have been carried out and been included in the CEA Europlexus fast dynamics software. (O.M.)

  5. A challenge to dSph formation models: are the most isolated Local Group dSph galaxies truly old?

    Science.gov (United States)

    Monelli, Matteo

    2017-08-01

    What is the origin of the different dwarf galaxy types? The classification into dwarf irregular (dIrr), spheroidal (dSph), and transition (dT) types is based on their present-day properties. However, star formation histories (SFHs) reconstructed from deep color-magnitude diagrams (CMDs) provide details on the early evolution of galaxies of all these types, and indicate only two basic evolutionary paths. One is characterized by a vigorous but brief initial star-forming event, and little or no star formation thereafter (fast evolution), and the other one by roughly continuous star formation until (nearly) the present time (slow evolution). These two paths do not map directly onto the dIrr, dT and dSph types. Thus, the present galaxy properties do not reflect their lifetime evolution. Since there are some indications that slow dwarfs were assembled in lower-density environments than fast dwarfs, Gallart et al (2015) proposed that the distinction between fast and slow dwarfs reflects the characteristic density of the environment where they formed. This scenario, and more generally scenarios where dSph galaxies formed through the interaction with a massive galaxy, are challenged by a small sample of extremely isolated dSph/dT in the outer fringes of the Local Group. This proposal targets two of these objects (VV124, KKR25) for which we will infer their SFH - through a novel technique that combines the information from their RR Lyrae stars and deep CMDs sampling the intermediate-age population - in order to test these scenarios. This is much less demanding on observing time than classical SFH derivation using full depth CMDs.

  6. A study of solid wall models for weakly compressible SPH

    Energy Technology Data Exchange (ETDEWEB)

    Valizadeh, Alireza, E-mail: alireza.valizadeh@monash.edu [Department of Mechanical and Aerospace Engineering, Monash University, Clayton VIC 3800 (Australia); Monaghan, Joseph J., E-mail: joe.monaghan@monash.edu [School of Mathematical Sciences, Monash University, Clayton VIC 3800 (Australia)

    2015-11-01

    This paper is concerned with a comparison of two methods of treating solid wall boundaries in the weakly compressible (SPH) method. They have been chosen because of their wide use in simulations. These methods are the boundary force particles of Monaghan and Kajtar [24] and the use of layers of fixed boundary particles. The latter was first introduced by Morris et al. [26] but has since been improved by Adami et al. [1] whose algorithm involves interpolating the pressure and velocity from the actual fluid to the boundary particles. For each method, we study the effect of the density diffusive terms proposed by Molteni and Colagrossi [19] and modified by Antuono et al. [3]. We test the methods by a series of simulations commencing with the time-dependent spin-down of fluid within a cylinder and the behaviour of fluid in a box subjected to constant acceleration at an angle to the walls of the box, and concluding with a dam break over a triangular obstacle. In the first two cases the results from the two methods can be compared to analytical solutions while, in the latter case, they can be compared with experiments and other methods. These results show that the method of Adami et al. together with density diffusion is in very satisfactory agreement with the experimental results and is, overall, the best of the methods discussed here.

  7. Development of a two-phase SPH model for sediment laden flows

    Science.gov (United States)

    Shi, Huabin; Yu, Xiping; Dalrymple, Robert A.

    2017-12-01

    A SPH model based on a general formulation for solid-fluid two-phase flows is proposed for suspended sediment motion in free surface flows. The water and the sediment are treated as two miscible fluids, and the multi-fluid system is discretized by a single set of SPH particles, which move with the water velocity and carry properties of the two phases. Large eddy simulation (LES) is introduced to deal with the turbulence effect, and the widely used Smagorinsky model is modified to take into account the influence of sediment particles on the turbulence. The drag force is accurately formulated by including the hindered settling effect. In the model, the water is assumed to be weakly compressible while the sediment is incompressible, and a new equation of state is proposed for the pressure in the sediment-water mixture. Dynamic boundary condition is employed to treat wall boundaries, and a new strategy of Shepard filtering is adopted to damp the pressure oscillation. The developed two-phase SPH model is validated by comparing the numerical results with analytical solutions for idealized cases of still water containing both neutrally buoyant and naturally settling sand and for plane Poiseuille flows carrying neutrally buoyant particles, and is then applied to sand dumping from a line source into a water tank, where the sand cloud settles with a response of the free water surface. It is shown that the numerical results are in good agreement with the experimental data as well as the empirical formulas. The characteristics of the settling sand cloud, the pressure field, and the flow vortices are studied. The motion of the free water surface is also discussed. The proposed two-phase SPH model is proven to be effective for numerical simulation of sand dumping into waters.

  8. Impacts modeling using the SPH particulate method. Case study; Modelisation d'impacts par la methode particulaire SPH. Etude de cas

    Energy Technology Data Exchange (ETDEWEB)

    Debord, R

    1999-07-01

    The aim of this study is the modeling of the impact of melted metal on the reactor vessel head in the case of a core-meltdown accident. Modeling using the classical finite-element method alone is not sufficient but requires a coupling with particulate methods in order to take into account the behaviour of the corium. After a general introduction about particulate methods, the Nabor and SPH (smoothed particle hydrodynamics) methods are described. Then, the theoretical and numerical reliability of the SPH method is determined using simple cases. In particular, the number of neighbours significantly influences the preciseness of calculations. Also, the mesh of the structure must be adapted to the mesh of the fluid in order to reduce the edge effects. Finally, this study has shown that the values of artificial velocity coefficients used in the simulation of the BERDA test performed by the FZK Karlsruhe (Germany) are not correct. The domain of use of these coefficients was precised during a low speed impact. (J.S.)

  9. Impacts modeling using the SPH particulate method. Case study; Modelisation d'impacts par la methode particulaire SPH. Etude de cas

    Energy Technology Data Exchange (ETDEWEB)

    Debord, R

    1999-07-01

    The aim of this study is the modeling of the impact of melted metal on the reactor vessel head in the case of a core-meltdown accident. Modeling using the classical finite-element method alone is not sufficient but requires a coupling with particulate methods in order to take into account the behaviour of the corium. After a general introduction about particulate methods, the Nabor and SPH (smoothed particle hydrodynamics) methods are described. Then, the theoretical and numerical reliability of the SPH method is determined using simple cases. In particular, the number of neighbours significantly influences the preciseness of calculations. Also, the mesh of the structure must be adapted to the mesh of the fluid in order to reduce the edge effects. Finally, this study has shown that the values of artificial velocity coefficients used in the simulation of the BERDA test performed by the FZK Karlsruhe (Germany) are not correct. The domain of use of these coefficients was precised during a low speed impact. (J.S.)

  10. A 1D-2D coupled SPH-SWE model applied to open channel flow simulations in complicated geometries

    Science.gov (United States)

    Chang, Kao-Hua; Sheu, Tony Wen-Hann; Chang, Tsang-Jung

    2018-05-01

    In this study, a one- and two-dimensional (1D-2D) coupled model is developed to solve the shallow water equations (SWEs). The solutions are obtained using a Lagrangian meshless method called smoothed particle hydrodynamics (SPH) to simulate shallow water flows in converging, diverging and curved channels. A buffer zone is introduced to exchange information between the 1D and 2D SPH-SWE models. Interpolated water discharge values and water surface levels at the internal boundaries are prescribed as the inflow/outflow boundary conditions in the two SPH-SWE models. In addition, instead of using the SPH summation operator, we directly solve the continuity equation by introducing a diffusive term to suppress oscillations in the predicted water depth. The performance of the two approaches in calculating the water depth is comprehensively compared through a case study of a straight channel. Additionally, three benchmark cases involving converging, diverging and curved channels are adopted to demonstrate the ability of the proposed 1D and 2D coupled SPH-SWE model through comparisons with measured data and predicted mesh-based numerical results. The proposed model provides satisfactory accuracy and guaranteed convergence.

  11. SPH modeling of fluid-solid interaction for dynamic failure analysis of fluid-filled thin shells

    Science.gov (United States)

    Caleyron, F.; Combescure, A.; Faucher, V.; Potapov, S.

    2013-05-01

    This work concerns the prediction of failure of a fluid-filled tank under impact loading, including the resulting fluid leakage. A water-filled steel cylinder associated with a piston is impacted by a mass falling at a prescribed velocity. The cylinder is closed at its base by an aluminum plate whose characteristics are allowed to vary. The impact on the piston creates a pressure wave in the fluid which is responsible for the deformation of the plate and, possibly, the propagation of cracks. The structural part of the problem is modeled using Mindlin-Reissner finite elements (FE) and Smoothed Particle Hydrodynamics (SPH) shells. The modeling of the fluid is also based on an SPH formulation. The problem involves significant fluid-structure interactions (FSI) which are handled through a master-slave-based method and the pinballs method. Numerical results are compared to experimental data.

  12. SPH based modelling of oxide and oxide film formation in gravity die castings

    International Nuclear Information System (INIS)

    Ellingsen, K; M'Hamdi, M; Coudert, T

    2015-01-01

    Gravity die casting is an important casting process which has the capability of making complicated, high-integrity components for e.g. the automotive industry. Oxides and oxide films formed during filling affect the cast product quality. The Smoothed particle hydrodynamics (SPH) method is particularly suited to follow complex flows. The SPH method has been used to study filling of a gravity die including the formation and transport of oxides and oxide films for two different filling velocities. A low inlet velocity leads to a higher amount of oxides and oxide films in the casting. The study demonstrates the usefulness of the SPH method for an increased understanding of the effect of different filling procedures on the cast quality. (paper)

  13. Development of stress boundary conditions in smoothed particle hydrodynamics (SPH) for the modeling of solids deformation

    Science.gov (United States)

    Douillet-Grellier, Thomas; Pramanik, Ranjan; Pan, Kai; Albaiz, Abdulaziz; Jones, Bruce D.; Williams, John R.

    2017-10-01

    This paper develops a method for imposing stress boundary conditions in smoothed particle hydrodynamics (SPH) with and without the need for dummy particles. SPH has been used for simulating phenomena in a number of fields, such as astrophysics and fluid mechanics. More recently, the method has gained traction as a technique for simulation of deformation and fracture in solids, where the meshless property of SPH can be leveraged to represent arbitrary crack paths. Despite this interest, application of boundary conditions within the SPH framework is typically limited to imposed velocity or displacement using fictitious dummy particles to compensate for the lack of particles beyond the boundary interface. While this is enough for a large variety of problems, especially in the case of fluid flow, for problems in solid mechanics there is a clear need to impose stresses upon boundaries. In addition to this, the use of dummy particles to impose a boundary condition is not always suitable or even feasibly, especially for those problems which include internal boundaries. In order to overcome these difficulties, this paper first presents an improved method for applying stress boundary conditions in SPH with dummy particles. This is then followed by a proposal of a formulation which does not require dummy particles. These techniques are then validated against analytical solutions to two common problems in rock mechanics, the Brazilian test and the penny-shaped crack problem both in 2D and 3D. This study highlights the fact that SPH offers a good level of accuracy to solve these problems and that results are reliable. This validation work serves as a foundation for addressing more complex problems involving plasticity and fracture propagation.

  14. Resolved granular debris-flow simulations with a coupled SPH-DCDEM model

    Science.gov (United States)

    Birjukovs Canelas, Ricardo; Domínguez, José M.; Crespo, Alejandro J. C.; Gómez-Gesteira, Moncho; Ferreira, Rui M. L.

    2016-04-01

    Debris flows represent some of the most relevant phenomena in geomorphological events. Due to the potential destructiveness of such flows, they are the target of a vast amount of research (Takahashi, 2007 and references therein). A complete description of the internal processes of a debris-flow is however still an elusive achievement, explained by the difficulty of accurately measuring important quantities in these flows and developing a comprehensive, generalized theoretical framework capable of describing them. This work addresses the need for a numerical model applicable to granular-fluid mixtures featuring high spatial and temporal resolution, thus capable of resolving the motion of individual particles, including all interparticle contacts. This corresponds to a brute-force approach: by applying simple interaction laws at local scales the macro-scale properties of the flow should be recovered by upscaling. This methodology effectively bypasses the complexity of modelling the intermediate scales by resolving them directly. The only caveat is the need of high performance computing, a demanding but engaging research challenge. The DualSPHysics meshless numerical implementation, based on Smoothed Particle Hydrodynamics (SPH), is expanded with a Distributed Contact Discrete Element Method (DCDEM) in order to explicitly solve the fluid and the solid phase. The model numerically solves the Navier-Stokes and continuity equations for the liquid phase and Newton's motion equations for solid bodies. The interactions between solids are modelled with classical DEM approaches (Kruggel-Emden et al, 2007). Among other validation tests, an experimental set-up for stony debris flows in a slit check dam is reproduced numerically, where solid material is introduced trough a hopper assuring a constant solid discharge for the considered time interval. With each sediment particle undergoing tens of possible contacts, several thousand time-evolving contacts are efficiently treated

  15. Modelling multi-phase liquid-sediment scour and resuspension induced by rapid flows using Smoothed Particle Hydrodynamics (SPH) accelerated with a Graphics Processing Unit (GPU)

    Science.gov (United States)

    Fourtakas, G.; Rogers, B. D.

    2016-06-01

    A two-phase numerical model using Smoothed Particle Hydrodynamics (SPH) is applied to two-phase liquid-sediments flows. The absence of a mesh in SPH is ideal for interfacial and highly non-linear flows with changing fragmentation of the interface, mixing and resuspension. The rheology of sediment induced under rapid flows undergoes several states which are only partially described by previous research in SPH. This paper attempts to bridge the gap between the geotechnics, non-Newtonian and Newtonian flows by proposing a model that combines the yielding, shear and suspension layer which are needed to predict accurately the global erosion phenomena, from a hydrodynamics prospective. The numerical SPH scheme is based on the explicit treatment of both phases using Newtonian and the non-Newtonian Bingham-type Herschel-Bulkley-Papanastasiou constitutive model. This is supplemented by the Drucker-Prager yield criterion to predict the onset of yielding of the sediment surface and a concentration suspension model. The multi-phase model has been compared with experimental and 2-D reference numerical models for scour following a dry-bed dam break yielding satisfactory results and improvements over well-known SPH multi-phase models. With 3-D simulations requiring a large number of particles, the code is accelerated with a graphics processing unit (GPU) in the open-source DualSPHysics code. The implementation and optimisation of the code achieved a speed up of x58 over an optimised single thread serial code. A 3-D dam break over a non-cohesive erodible bed simulation with over 4 million particles yields close agreement with experimental scour and water surface profiles.

  16. Phase-field modeling of mixing/demixing of regular binary mixtures with a composition-dependent viscosity

    Science.gov (United States)

    Lamorgese, A.; Mauri, R.

    2017-04-01

    We simulate the mixing (demixing) process of a quiescent binary liquid mixture with a composition-dependent viscosity which is instantaneously brought from the two-phase (one-phase) to the one-phase (two-phase) region of its phase diagram. Our theoretical approach follows a standard diffuse-interface model of partially miscible regular binary mixtures wherein convection and diffusion are coupled via a nonequilibrium capillary force, expressing the tendency of the phase-separating system to minimize its free energy. Based on 2D simulation results, we discuss the influence of viscosity ratio on basic statistics of the mixing (segregation) process triggered by a rapid heating (quench), assuming that the ratio of capillary to viscous forces (a.k.a. the fluidity coefficient) is large. We show that, for a phase-separating system, at a fixed value of the fluidity coefficient (with the continuous phase viscosity taken as a reference), the separation depth and the characteristic length of single-phase microdomains decrease monotonically for increasing values of the viscosity of the dispersed phase. This variation, however, is quite small, in agreement with experimental results. On the other hand, as one might expect, at a fixed viscosity of the dispersed phase both of the above statistics increase monotonically as the viscosity of the continuous phase decreases. Finally, we show that for a mixing system the attainment of a single-phase equilibrium state by coalescence and diffusion is retarded by an increase in the viscosity ratio at a fixed fluidity for the dispersed phase. In fact, for large enough values of the viscosity ratio, a thin film of the continuous phase becomes apparent when two drops of the minority phase approach each other, which further retards coalescence.

  17. On the necessity of composition-dependent low-temperature opacity in models of metal-poor asymptotic giant branch stars

    Energy Technology Data Exchange (ETDEWEB)

    Constantino, Thomas; Campbell, Simon; Lattanzio, John [Monash Centre for Astrophysics, School of Mathematical Sciences, Monash University, Victoria 3800 (Australia); Gil-Pons, Pilar, E-mail: thomas.constantino@monash.edu [Department of Applied Physics, Polytechnic University of Catalonia, 08860 Barcelona (Spain)

    2014-03-20

    The vital importance of composition-dependent low-temperature opacity in low-mass (M ≤ 3 M {sub ☉}) asymptotic giant branch (AGB) stellar models of metallicity Z ≥ 0.001 has recently been demonstrated. Its significance to more metal-poor, intermediate-mass (M ≥ 2.5 M {sub ☉}) models has yet to be investigated. We show that its inclusion in lower-metallicity models ([Fe/H] ≤–2) is essential and that there exists no threshold metallicity below which composition-dependent molecular opacity may be neglected. We find it to be crucial in all intermediate-mass models investigated ([Fe/H] ≤–2 and 2.5 ≤ M/M {sub ☉} ≤ 5), because of the evolution of the surface chemistry, including the orders of magnitude increase in the abundance of molecule-forming species. Its effect on these models mirrors that previously reported for higher-metallicity models—increase in radius, decrease in T {sub eff}, faster mass loss, shorter thermally pulsing AGB lifetime, reduced enrichment in third dredge-up products (by a factor of 3-10), and an increase in the mass limit for hot bottom burning. We show that the evolution of low-metallicity models with composition-dependent low-temperature opacity is relatively independent of initial metal abundance because its contribution to the opacity is far outweighed by changes resulting from dredge-up. Our results imply a significant reduction in the expected number of nitrogen-enhanced metal-poor stars, which may help explain their observed paucity. We note that these findings are partially a product of the macrophysics adopted in our models, in particular, the Vassiliadis and Wood mass loss rate which is strongly dependent on radius.

  18. The SPH homogeneization method

    International Nuclear Information System (INIS)

    Kavenoky, Alain

    1978-01-01

    The homogeneization of a uniform lattice is a rather well understood topic while difficult problems arise if the lattice becomes irregular. The SPH homogeneization method is an attempt to generate homogeneized cross sections for an irregular lattice. Section 1 summarizes the treatment of an isolated cylindrical cell with an entering surface current (in one velocity theory); Section 2 is devoted to the extension of the SPH method to assembly problems. Finally Section 3 presents the generalisation to general multigroup problems. Numerical results are obtained for a PXR rod bundle assembly in Section 4

  19. Coupling SPH and thermochemical models of planets: Methodology and example of a Mars-sized body

    Science.gov (United States)

    Golabek, G. J.; Emsenhuber, A.; Jutzi, M.; Asphaug, E. I.; Gerya, T. V.

    2018-02-01

    Giant impacts have been suggested to explain various characteristics of terrestrial planets and their moons. However, so far in most models only the immediate effects of the collisions have been considered, while the long-term interior evolution of the impacted planets was not studied. Here we present a new approach, combining 3-D shock physics collision calculations with 3-D thermochemical interior evolution models. We apply the combined methods to a demonstration example of a giant impact on a Mars-sized body, using typical collisional parameters from previous studies. While the material parameters (equation of state, rheology model) used in the impact simulations can have some effect on the long-term evolution, we find that the impact angle is the most crucial parameter for the resulting spatial distribution of the newly formed crust. The results indicate that a dichotomous crustal pattern can form after a head-on collision, while this is not the case when considering a more likely grazing collision. Our results underline that end-to-end 3-D calculations of the entire process are required to study in the future the effects of large-scale impacts on the evolution of planetary interiors.

  20. Tensile Instability and Artificial Stresses in Impact Problems in SPH

    International Nuclear Information System (INIS)

    Mehra, Vishal; Sijoy C D; Mishra, Vinayak; Chaturvedi, Shashank

    2012-01-01

    The smooth particle hydrodynamics (SPH) is a meshless computational technique that is popular in the modeling of impact and penetration problems. However, SPH is liable to a tensile instability that manifests itself as a bunching of nodes and formation of artificial voids and no generally accepted formulation exists to counter this instability. We examine the performance of two methods that have been proposed to deal with the tensile instability— the Monaghan artificial stresses and the Godunov-type SPH. The impact and penetration of 0.5 cm radii steel spheres on 2 mm thick aluminium plate at 3.1 km/s is chosen for comparison. We show that the artificial void formation in St-Al impact is suppressed but not eliminated by using Monaghan stresses while the void formation is entirely eliminated by using Godunov-type formulation of SPH that was proposed by Parshikov and Medin.

  1. Application of the SPH method in nodal diffusion analyses of SFR cores

    Energy Technology Data Exchange (ETDEWEB)

    Nikitin, Evgeny; Fridman, Emil [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Div. Reactor Safety; Mikityuk, K. [Paul Scherrer Institut, Villigen (Switzerland)

    2016-07-01

    The current study investigated the potential of the SPH method, applied to correct the few-group XS produced by Serpent, to further improve the accuracy of the nodal diffusion solutions. The procedure for the generation of SPH-corrected few-group XS is presented in the paper. The performance of the SPH method was tested on a large oxide SFR core from the OECD/NEA SFR benchmark. The reference SFR core was modeled with the DYN3D and PARCS nodal diffusion codes using the SPH-corrected few-group XS generated by Serpent. The nodal diffusion results obtained with and without SPH correction were compared to the reference full-core Serpent MC solution. It was demonstrated that the application of the SPH method improves the accuracy of the nodal diffusion solutions, particularly for the rodded core state.

  2. Rapid filling of pipelines with the SPH particle method

    NARCIS (Netherlands)

    Hou, Q.; Zhang, L.X.; Tijsseling, A.S.; Kruisbrink, A.C.H.

    2011-01-01

    The paper reports the development and application of a SPH (smoothed particle hydrodynamics) based simulation of rapid filling of pipelines, for which the rigid-column model is commonly used. In this paper the water-hammer equations with a moving boundary are used to model the pipe filling process,

  3. Rapid filling of pipelines with the SPH particle method

    NARCIS (Netherlands)

    Hou, Q.; Zhang, L.X.; Tijsseling, A.S.; Kruisbrink, A.C.H.

    2012-01-01

    The paper reports the development and application of a SPH (smoothed particle hydrodynamics) based simulation of rapid filling of pipelines, for which the rigid-column model is commonly used. In this paper the water-hammer equations with a moving boundary are used to model the pipe filling process,

  4. SphK1 mediates hepatic inflammation in a mouse model of NASH induced by high saturated fat feeding and initiates proinflammatory signaling in hepatocytes.

    Science.gov (United States)

    Geng, Tuoyu; Sutter, Alton; Harland, Michael D; Law, Brittany A; Ross, Jessica S; Lewin, David; Palanisamy, Arun; Russo, Sarah B; Chavin, Kenneth D; Cowart, L Ashley

    2015-12-01

    Steatohepatitis occurs in up to 20% of patients with fatty liver disease and leads to its primary disease outcomes, including fibrosis, cirrhosis, and increased risk of hepatocellular carcinoma. Mechanisms that mediate this inflammation are of major interest. We previously showed that overload of saturated fatty acids, such as that which occurs with metabolic syndrome, induced sphingosine kinase 1 (SphK1), an enzyme that generates sphingosine-1-phosphate (S1P). While data suggest beneficial roles for S1P in some contexts, we hypothesized that it may promote hepatic inflammation in the context of obesity. Consistent with this, we observed 2-fold elevation of this enzyme in livers from humans with nonalcoholic fatty liver disease and also in mice with high saturated fat feeding, which recapitulated the human disease. Mice exhibited activation of NFκB, elevated cytokine production, and immune cell infiltration. Importantly, SphK1-null mice were protected from these outcomes. Studies in cultured cells demonstrated saturated fatty acid induction of SphK1 message, protein, and activity, and also a requirement of the enzyme for NFκB signaling and increased mRNA encoding TNFα and MCP1. Moreover, saturated fat-induced NFκB signaling and elevation of TNFα and MCP1 mRNA in HepG2 cells was blocked by targeted knockdown of S1P receptor 1, supporting a role for this lipid signaling pathway in inflammation in nonalcoholic fatty liver disease.

  5. A hybrid Lagrangian Voronoi-SPH scheme

    Science.gov (United States)

    Fernandez-Gutierrez, D.; Souto-Iglesias, A.; Zohdi, T. I.

    2017-11-01

    A hybrid Lagrangian Voronoi-SPH scheme, with an explicit weakly compressible formulation for both the Voronoi and SPH sub-domains, has been developed. The SPH discretization is substituted by Voronoi elements close to solid boundaries, where SPH consistency and boundary conditions implementation become problematic. A buffer zone to couple the dynamics of both sub-domains is used. This zone is formed by a set of particles where fields are interpolated taking into account SPH particles and Voronoi elements. A particle may move in or out of the buffer zone depending on its proximity to a solid boundary. The accuracy of the coupled scheme is discussed by means of a set of well-known verification benchmarks.

  6. ZENO: N-body and SPH Simulation Codes

    Science.gov (United States)

    Barnes, Joshua E.

    2011-02-01

    The ZENO software package integrates N-body and SPH simulation codes with a large array of programs to generate initial conditions and analyze numerical simulations. Written in C, the ZENO system is portable between Mac, Linux, and Unix platforms. It is in active use at the Institute for Astronomy (IfA), at NRAO, and possibly elsewhere. Zeno programs can perform a wide range of simulation and analysis tasks. While many of these programs were first created for specific projects, they embody algorithms of general applicability and embrace a modular design strategy, so existing code is easily applied to new tasks. Major elements of the system include: Structured data file utilities facilitate basic operations on binary data, including import/export of ZENO data to other systems.Snapshot generation routines create particle distributions with various properties. Systems with user-specified density profiles can be realized in collisionless or gaseous form; multiple spherical and disk components may be set up in mutual equilibrium.Snapshot manipulation routines permit the user to sift, sort, and combine particle arrays, translate and rotate particle configurations, and assign new values to data fields associated with each particle.Simulation codes include both pure N-body and combined N-body/SPH programs: Pure N-body codes are available in both uniprocessor and parallel versions.SPH codes offer a wide range of options for gas physics, including isothermal, adiabatic, and radiating models. Snapshot analysis programs calculate temporal averages, evaluate particle statistics, measure shapes and density profiles, compute kinematic properties, and identify and track objects in particle distributions.Visualization programs generate interactive displays and produce still images and videos of particle distributions; the user may specify arbitrary color schemes and viewing transformations.

  7. SPHYNX: an accurate density-based SPH method for astrophysical applications

    Science.gov (United States)

    Cabezón, R. M.; García-Senz, D.; Figueira, J.

    2017-10-01

    Aims: Hydrodynamical instabilities and shocks are ubiquitous in astrophysical scenarios. Therefore, an accurate numerical simulation of these phenomena is mandatory to correctly model and understand many astrophysical events, such as supernovas, stellar collisions, or planetary formation. In this work, we attempt to address many of the problems that a commonly used technique, smoothed particle hydrodynamics (SPH), has when dealing with subsonic hydrodynamical instabilities or shocks. To that aim we built a new SPH code named SPHYNX, that includes many of the recent advances in the SPH technique and some other new ones, which we present here. Methods: SPHYNX is of Newtonian type and grounded in the Euler-Lagrange formulation of the smoothed-particle hydrodynamics technique. Its distinctive features are: the use of an integral approach to estimating the gradients; the use of a flexible family of interpolators called sinc kernels, which suppress pairing instability; and the incorporation of a new type of volume element which provides a better partition of the unity. Unlike other modern formulations, which consider volume elements linked to pressure, our volume element choice relies on density. SPHYNX is, therefore, a density-based SPH code. Results: A novel computational hydrodynamic code oriented to Astrophysical applications is described, discussed, and validated in the following pages. The ensuing code conserves mass, linear and angular momentum, energy, entropy, and preserves kernel normalization even in strong shocks. In our proposal, the estimation of gradients is enhanced using an integral approach. Additionally, we introduce a new family of volume elements which reduce the so-called tensile instability. Both features help to suppress the damp which often prevents the growth of hydrodynamic instabilities in regular SPH codes. Conclusions: On the whole, SPHYNX has passed the verification tests described below. For identical particle setting and initial

  8. Local Group dSph radio survey with ATCA (III): constraints on particle dark matter

    International Nuclear Information System (INIS)

    Regis, Marco; Colafrancesco, Sergio; Profumo, Stefano; De Blok, W.J.G.; Massardi, Marcella; Richter, Laura

    2014-01-01

    We performed a deep search for radio synchrotron emissions induced by weakly interacting massive particles (WIMPs) annihilation or decay in six dwarf spheroidal (dSph) galaxies of the Local Group. Observations were conducted with the Australia Telescope Compact Array (ATCA) at 16 cm wavelength, with an rms sensitivity better than 0.05 mJy/beam in each field. In this work, we first discuss the uncertainties associated with the modeling of the expected signal, such as the shape of the dark matter (DM) profile and the dSph magnetic properties. We then investigate the possibility that point-sources detected in the proximity of the dSph optical center might be due to the emission from a DM cuspy profile. No evidence for an extended emission over a size of few arcmin (which is the DM halo size) has been detected. We present the associated bounds on the WIMP parameter space for different annihilation/decay final states and for different astrophysical assumptions. If the confinement of electrons and positrons in the dSph is such that the majority of their power is radiated within the dSph region, we obtain constraints on the WIMP annihilation rate which are well below the thermal value for masses up to few TeV. On the other hand, for conservative assumptions on the dSph magnetic properties, the bounds can be dramatically relaxed. We show however that, within the next 10 years and regardless of the astrophysical assumptions, it will be possible to progressively close in on the full parameter space of WIMPs by searching for radio signals in dSphs with SKA and its precursors

  9. Local Group dSph radio survey with ATCA (III): constraints on particle dark matter

    Energy Technology Data Exchange (ETDEWEB)

    Regis, Marco [Dipartimento di Fisica, Università di Torino, via P. Giuria 1, I-10125 Torino (Italy); Colafrancesco, Sergio [School of Physics, University of the Witwatersrand, Johannesburg (South Africa); Profumo, Stefano [Department of Physics, University of California, 1156 High St., Santa Cruz, CA 95064 (United States); De Blok, W.J.G. [Netherlands Institute for Radio Astronomy (ASTRON), Postbus 2, 7990 AA Dwingeloo (Netherlands); Massardi, Marcella [INAF—Istituto di Radioastronomia, Via Gobetti 101, I-40129, Bologna (Italy); Richter, Laura, E-mail: regis@to.infn.it, E-mail: sergio.colafrancesco@wits.ac.za, E-mail: profumo@ucsc.edu, E-mail: blok@astron.nl, E-mail: massardi@ira.inaf.it, E-mail: laura@ska.ac.za [SKA South Africa, 3rd Floor, The Park, Park Road, Pinelands, 7405 (South Africa)

    2014-10-01

    We performed a deep search for radio synchrotron emissions induced by weakly interacting massive particles (WIMPs) annihilation or decay in six dwarf spheroidal (dSph) galaxies of the Local Group. Observations were conducted with the Australia Telescope Compact Array (ATCA) at 16 cm wavelength, with an rms sensitivity better than 0.05 mJy/beam in each field. In this work, we first discuss the uncertainties associated with the modeling of the expected signal, such as the shape of the dark matter (DM) profile and the dSph magnetic properties. We then investigate the possibility that point-sources detected in the proximity of the dSph optical center might be due to the emission from a DM cuspy profile. No evidence for an extended emission over a size of few arcmin (which is the DM halo size) has been detected. We present the associated bounds on the WIMP parameter space for different annihilation/decay final states and for different astrophysical assumptions. If the confinement of electrons and positrons in the dSph is such that the majority of their power is radiated within the dSph region, we obtain constraints on the WIMP annihilation rate which are well below the thermal value for masses up to few TeV. On the other hand, for conservative assumptions on the dSph magnetic properties, the bounds can be dramatically relaxed. We show however that, within the next 10 years and regardless of the astrophysical assumptions, it will be possible to progressively close in on the full parameter space of WIMPs by searching for radio signals in dSphs with SKA and its precursors.

  10. SEURAT: SPH scheme extended with ultraviolet line radiative transfer

    Science.gov (United States)

    Abe, Makito; Suzuki, Hiroyuki; Hasegawa, Kenji; Semelin, Benoit; Yajima, Hidenobu; Umemura, Masayuki

    2018-05-01

    We present a novel Lyman alpha (Ly α) radiative transfer code, SEURAT (SPH scheme Extended with Ultraviolet line RAdiative Transfer), where line scatterings are solved adaptively with the resolution of the smoothed particle hydrodynamics (SPH). The radiative transfer method implemented in SEURAT is based on a Monte Carlo algorithm in which the scattering and absorption by dust are also incorporated. We perform standard test calculations to verify the validity of the code; (i) emergent spectra from a static uniform sphere, (ii) emergent spectra from an expanding uniform sphere, and (iii) escape fraction from a dusty slab. Thereby, we demonstrate that our code solves the {Ly} α radiative transfer with sufficient accuracy. We emphasize that SEURAT can treat the transfer of {Ly} α photons even in highly complex systems that have significantly inhomogeneous density fields. The high adaptivity of SEURAT is desirable to solve the propagation of {Ly} α photons in the interstellar medium of young star-forming galaxies like {Ly} α emitters (LAEs). Thus, SEURAT provides a powerful tool to model the emergent spectra of {Ly} α emission, which can be compared to the observations of LAEs.

  11. Multi-resolution Delta-plus-SPH with tensile instability control: Towards high Reynolds number flows

    Science.gov (United States)

    Sun, P. N.; Colagrossi, A.; Marrone, S.; Antuono, M.; Zhang, A. M.

    2018-03-01

    It is well known that the use of SPH models in simulating flow at high Reynolds numbers is limited because of the tensile instability inception in the fluid region characterized by high vorticity and negative pressure. In order to overcome this issue, the δ+-SPH scheme is modified by implementing a Tensile Instability Control (TIC). The latter consists of switching the momentum equation to a non-conservative formulation in the unstable flow regions. The loss of conservation properties is shown to induce small errors, provided that the particle distribution is regular. The latter condition can be ensured thanks to the implementation of a Particle Shifting Technique (PST). The novel variant of the δ+-SPH is proved to be effective in preventing the onset of tensile instability. Several challenging benchmark tests involving flows past bodies at large Reynolds numbers have been used. Within this a simulation characterized by a deforming foil that resembles a fish-like swimming body is used as a practical application of the δ+-SPH model in biological fluid mechanics.

  12. Water Flow Simulation using Smoothed Particle Hydrodynamics (SPH)

    Science.gov (United States)

    Vu, Bruce; Berg, Jared; Harris, Michael F.

    2014-01-01

    Simulation of water flow from the rainbird nozzles has been accomplished using the Smoothed Particle Hydrodynamics (SPH). The advantage of using SPH is that no meshing is required, thus the grid quality is no longer an issue and accuracy can be improved.

  13. Local Group dSph radio survey with ATCA - II. Non-thermal diffuse emission

    Science.gov (United States)

    Regis, Marco; Richter, Laura; Colafrancesco, Sergio; Profumo, Stefano; de Blok, W. J. G.; Massardi, Marcella

    2015-04-01

    Our closest neighbours, the Local Group dwarf spheroidal (dSph) galaxies, are extremely quiescent and dim objects, where thermal and non-thermal diffuse emissions lack, so far, of detection. In order to possibly study the dSph interstellar medium, deep observations are required. They could reveal non-thermal emissions associated with the very low level of star formation, or to particle dark matter annihilating or decaying in the dSph halo. In this work, we employ radio observations of six dSphs, conducted with the Australia Telescope Compact Array in the frequency band 1.1-3.1 GHz, to test the presence of a diffuse component over typical scales of few arcmin and at an rms sensitivity below 0.05 mJy beam-1. We observed the dSph fields with both a compact array and long baselines. Short spacings led to a synthesized beam of about 1 arcmin and were used for the extended emission search. The high-resolution data mapped background sources, which in turn were subtracted in the short-baseline maps, to reduce their confusion limit. We found no significant detection of a diffuse radio continuum component. After a detailed discussion on the modelling of the cosmic ray (CR) electron distribution and on the dSph magnetic properties, we present bounds on several physical quantities related to the dSphs, such that the total radio flux, the angular shape of the radio emissivity, the equipartition magnetic field, and the injection and equilibrium distributions of CR electrons. Finally, we discuss the connection to far-infrared and X-ray observations.

  14. Composition dependent non-ideality in aqueous binary mixtures as ...

    Indian Academy of Sciences (India)

    SBBM) where two constituents dislike each other, yet remain macroscopically homogeneous at intermediate to high temperatures. Interestingly, we find that the origin of strong composition dependent non-ideal behaviour lies in its phase ...

  15. A Modified SPH Method for Dynamic Failure Simulation of Heterogeneous Material

    Directory of Open Access Journals (Sweden)

    G. W. Ma

    2014-01-01

    Full Text Available A modified smoothed particle hydrodynamics (SPH method is applied to simulate the failure process of heterogeneous materials. An elastoplastic damage model based on an extension form of the unified twin shear strength (UTSS criterion is adopted. Polycrystalline modeling is introduced to generate the artificial microstructure of specimen for the dynamic simulation of Brazilian splitting test and uniaxial compression test. The strain rate effect on the predicted dynamic tensile and compressive strength is discussed. The final failure patterns and the dynamic strength increments demonstrate good agreements with experimental results. It is illustrated that the polycrystalline modeling approach combined with the SPH method is promising to simulate more complex failure process of heterogeneous materials.

  16. An Improved SPH Technique for Fracture Modeling

    National Research Council Canada - National Science Library

    Libersky, Larry

    2000-01-01

    .... With these improvements, the MAGI code could solve the enormously complex problem of simulating Behind-Armor-Debris and subsequent interaction of the spall cloud with threat target components as well...

  17. Enforcing dust mass conservation in 3D simulations of tightly coupled grains with the PHANTOM SPH code

    Science.gov (United States)

    Ballabio, G.; Dipierro, G.; Veronesi, B.; Lodato, G.; Hutchison, M.; Laibe, G.; Price, D. J.

    2018-06-01

    We describe a new implementation of the one-fluid method in the SPH code PHANTOM to simulate the dynamics of dust grains in gas protoplanetary discs. We revise and extend previously developed algorithms by computing the evolution of a new fluid quantity that produces a more accurate and numerically controlled evolution of the dust dynamics. Moreover, by limiting the stopping time of uncoupled grains that violate the assumptions of the terminal velocity approximation, we avoid fatal numerical errors in mass conservation. We test and validate our new algorithm by running 3D SPH simulations of a large range of disc models with tightly and marginally coupled grains.

  18. Direct collapse to supermassive black hole seeds: comparing the AMR and SPH approaches.

    Science.gov (United States)

    Luo, Yang; Nagamine, Kentaro; Shlosman, Isaac

    2016-07-01

    We provide detailed comparison between the adaptive mesh refinement (AMR) code enzo-2.4 and the smoothed particle hydrodynamics (SPH)/ N -body code gadget-3 in the context of isolated or cosmological direct baryonic collapse within dark matter (DM) haloes to form supermassive black holes. Gas flow is examined by following evolution of basic parameters of accretion flows. Both codes show an overall agreement in the general features of the collapse; however, many subtle differences exist. For isolated models, the codes increase their spatial and mass resolutions at different pace, which leads to substantially earlier collapse in SPH than in AMR cases due to higher gravitational resolution in gadget-3. In cosmological runs, the AMR develops a slightly higher baryonic resolution than SPH during halo growth via cold accretion permeated by mergers. Still, both codes agree in the build-up of DM and baryonic structures. However, with the onset of collapse, this difference in mass and spatial resolution is amplified, so evolution of SPH models begins to lag behind. Such a delay can have effect on formation/destruction rate of H 2 due to UV background, and on basic properties of host haloes. Finally, isolated non-cosmological models in spinning haloes, with spin parameter λ ∼ 0.01-0.07, show delayed collapse for greater λ, but pace of this increase is faster for AMR. Within our simulation set-up, gadget-3 requires significantly larger computational resources than enzo-2.4 during collapse, and needs similar resources, during the pre-collapse, cosmological structure formation phase. Yet it benefits from substantially higher gravitational force and hydrodynamic resolutions, except at the end of collapse.

  19. Search for an intermediate-range composition-dependent force

    International Nuclear Information System (INIS)

    Boynton, P.E.; Crosby, D.; Ekstrom, P.; Szumilo, A.

    1987-01-01

    We have conducted an experiment to detect a composition-dependent force with range λ between 10 m and 1 km, and find a statistically significant effect. If interpreted as arising from a new force, this result and other recent measurementes would be consistent in strength only if the coupling were predominantly to nuclear isospin

  20. Extensible, Reusable, and Reproducible Computing: A Case Study of PySPH

    International Nuclear Information System (INIS)

    Ramachandran, Prabhu

    2016-01-01

    In this work, the Smoothed Particle Hydrodynamics (SPH) technique is considered as an example of a typical computational research area. PySPH is an open source framework for SPH computations. PySPH is designed to be easy to use. The framework allows a user to implement an entire simulation in pure Python. It is designed to make it easy for scientists to reuse their code and extend the work of others. These important features allow PySPH to facilitate reproducible computational research. Based on the experience with PySPH, general recommendations are suggested for other computational researchers. (paper)

  1. Grain sedimentation with SPH-DEM and its validation

    NARCIS (Netherlands)

    Robinson, M.J.; Luding, Stefan; Ramaioli, Marco; Yu, A; Dong, K; Yang, R; Luding, S

    2013-01-01

    Our mesoscale simulation method [M. Robinson, S. Luding, and M. Ramaioli, submitted (2013)] for multiphase fluid-particle flows couples Smoothed Particle Hydrodynamics (SPH) and the Discrete Element Method (DEM) and enjoys the flexibility of meshless methods, such as being capable to handling free

  2. Spatio-Temporal Process Simulation of Dam-Break Flood Based on SPH

    Science.gov (United States)

    Wang, H.; Ye, F.; Ouyang, S.; Li, Z.

    2018-04-01

    On the basis of introducing the SPH (Smooth Particle Hydrodynamics) simulation method, the key research problems were given solutions in this paper, which ere the spatial scale and temporal scale adapting to the GIS(Geographical Information System) application, the boundary condition equations combined with the underlying surface, and the kernel function and parameters applicable to dam-break flood simulation. In this regards, a calculation method of spatio-temporal process emulation with elaborate particles for dam-break flood was proposed. Moreover the spatio-temporal process was dynamic simulated by using GIS modelling and visualization. The results show that the method gets more information, objectiveness and real situations.

  3. SPH numerical investigation of the characteristics of an oscillating hydraulic jump at an abrupt drop

    Science.gov (United States)

    De Padova, Diana; Mossa, Michele; Sibilla, Stefano

    2018-02-01

    This paper shows the results of the smooth particle hydrodynamics (SPH) modelling of the hydraulic jump at an abrupt drop, where the transition from supercritical to subcritical flow is characterised by several flow patterns depending upon the inflow and tailwater conditions. SPH simulations are obtained by a pseudo-compressible XSPH scheme with pressure smoothing; turbulent stresses are represented either by an algebraic mixing-length model, or by a two-equation k- ɛ model. The numerical model is applied to analyse the occurrence of oscillatory flow conditions between two different jump types characterised by quasi-periodic oscillation, and the results are compared with experiments performed at the hydraulics laboratory of Bari Technical University. The purpose of this paper is to obtain a deeper understanding of the physical features of a flow which is in general difficult to be reproduced numerically, owing to its unstable character: in particular, vorticity and turbulent kinetic energy fields, velocity, water depth and pressure spectra downstream of the jump, and velocity and pressure cross-correlations can be computed and analysed.

  4. A high-order SPH method by introducing inverse kernels

    Directory of Open Access Journals (Sweden)

    Le Fang

    2017-02-01

    Full Text Available The smoothed particle hydrodynamics (SPH method is usually expected to be an efficient numerical tool for calculating the fluid-structure interactions in compressors; however, an endogenetic restriction is the problem of low-order consistency. A high-order SPH method by introducing inverse kernels, which is quite easy to be implemented but efficient, is proposed for solving this restriction. The basic inverse method and the special treatment near boundary are introduced with also the discussion of the combination of the Least-Square (LS and Moving-Least-Square (MLS methods. Then detailed analysis in spectral space is presented for people to better understand this method. Finally we show three test examples to verify the method behavior.

  5. Study on the runout of granular columns with SPH methods.

    OpenAIRE

    He, Xuzhen; Liang, Dongfang

    2015-01-01

    Landslides are catastrophic geophysical phenomena, which may cause heavy fatality and property losses. Hence, it is of vital importance to understand their mechanisms and evaluate their travel distance, so that appropriate measures can be taken to mitigate their risk. This paper reports on an application of the incompressible Smoothed Particle Hydrodynamics (SPH) method to the simulation of the collapse of granular columns onto the planes of different slopes, which is similar to dry landslide...

  6. Are dSph galaxies Galactic building blocks?

    Directory of Open Access Journals (Sweden)

    Gilmore G.

    2012-02-01

    Full Text Available Dwarf spheroidal galaxies (dSph are frequently assumed to represent surviving examples of a vast now destroyed population of small systems in which many of the stars now forming the Milky Way were formed. Ongoing accretion and considerable sub-structure in the outer Galactic halo is direct evidence that there is some role for stars formed in small galaxies in populating the (outer galaxy. The evidence from stellar populations is however contradictory to this. dSph stellar populations are unlike any stars found in significant numbers in the Milky Way. The dSph are indeed small galaxies, formed over long times with low rates of star formation. Most of the stars in the Milky Way halo however seem to have formed quickly, at higher star formation rate, in gas mixed efficiently on kpc scales. The overwhelming majority of Milky Way stars, those in the Galactic thick disk and thin disk, seem to have nothing at all to do with dwarf galaxy origins.

  7. A reformulation of the transport-transport SPH equivalence technique

    Energy Technology Data Exchange (ETDEWEB)

    Hebert, A., E-mail: alain.hebert@polymtl.ca [Ecole Polytechnique de Montreal, Montreal, QC (Canada)

    2015-07-01

    The superhomogeneisation (SPH) equivalence technique is a correction procedure based on equivalence factors. These equivalence factors are computed in such a way that a macro calculation made over a macro region and a coarse energy group with a simplified transport operator leads to the same leakage and reaction rates as a reference calculation performed without homogenization and with a fine group discretization. The situation where the macro calculation is performed with diffusion theory is a well understood and a common application of the technique. However, the case where the macro calculation is performed in transport theory is more complex and the SPH technique was reformulated in order to take into account the angular parity of the flux moments and cross sections. We found that the general rule to multiply all cross sections by a SPH factor and to divide all flux moment by the same factor is not valid. A new correction strategy is proposed to deal with transport-theory macro calculations. The strategy is slightly different whether or not the macro calculation is performed with a spherical harmonics (PN or SPN) discretization. The new approach was implemented in the DRAGON lattice code. Numerical results are comparing the classical and reformulated techniques. (author)

  8. A reformulation of the transport-transport SPH equivalence technique

    International Nuclear Information System (INIS)

    Hebert, A.

    2015-01-01

    The superhomogeneisation (SPH) equivalence technique is a correction procedure based on equivalence factors. These equivalence factors are computed in such a way that a macro calculation made over a macro region and a coarse energy group with a simplified transport operator leads to the same leakage and reaction rates as a reference calculation performed without homogenization and with a fine group discretization. The situation where the macro calculation is performed with diffusion theory is a well understood and a common application of the technique. However, the case where the macro calculation is performed in transport theory is more complex and the SPH technique was reformulated in order to take into account the angular parity of the flux moments and cross sections. We found that the general rule to multiply all cross sections by a SPH factor and to divide all flux moment by the same factor is not valid. A new correction strategy is proposed to deal with transport-theory macro calculations. The strategy is slightly different whether or not the macro calculation is performed with a spherical harmonics (PN or SPN) discretization. The new approach was implemented in the DRAGON lattice code. Numerical results are comparing the classical and reformulated techniques. (author)

  9. SPH for impact force and ricochet behavior of water-entry bodies

    Science.gov (United States)

    Omidvar, Pourya; Farghadani, Omid; Nikeghbali, Pooyan

    The numerical modeling of fluid interaction with a bouncing body has many applications in scientific and engineering application. In this paper, the problem of water impact of a body on free-surface is investigated, where the fixed ghost boundary condition is added to the open source code SPHysics2D1 to rectify the oscillations in pressure distributions with the repulsive boundary condition. First, after introducing the methodology of SPH and the option of boundary conditions, the still water problem is simulated using two types of boundary conditions. It is shown that the fixed ghost boundary condition gives a better result for a hydrostatics pressure. Then, the dam-break problem, which is a bench mark test case in SPH, is simulated and compared with available data. In order to show the behavior of the hydrostatics forces on bodies, a fix/floating cylinder is placed on free surface looking carefully at the force and heaving profile. Finally, the impact of a body on free-surface is successfully simulated for different impact angles and velocities.

  10. Meshless Lagrangian SPH method applied to isothermal lid-driven cavity flow at low-Re numbers

    Science.gov (United States)

    Fraga Filho, C. A. D.; Chacaltana, J. T. A.; Pinto, W. J. N.

    2018-01-01

    SPH is a recent particle method applied in the cavities study, without many results available in the literature. The lid-driven cavity flow is a classic problem of the fluid mechanics, extensively explored in the literature and presenting a considerable complexity. The aim of this paper is to present a solution from the Lagrangian viewpoint for this problem. The discretization of the continuum domain is performed using the Lagrangian particles. The physical laws of mass, momentum and energy conservation are presented by the Navier-Stokes equations. A serial numerical code, written in Fortran programming language, has been used to perform the numerical simulations. The application of the SPH and comparison with the literature (mesh methods and a meshless collocation method) have been done. The positions of the primary vortex centre and the non-dimensional velocity profiles passing through the geometric centre of the cavity have been analysed. The numerical Lagrangian results showed a good agreement when compared to the results found in the literature, specifically for { Re} < 100.00 . Suggestions for improvements in the SPH model presented are listed, in the search for better results for flows with higher Reynolds numbers.

  11. Synthetic Observations of the HI Line in SPH-Simulated Spiral Galaxies

    NARCIS (Netherlands)

    Douglas, Kevin A.; Acreman, David; Dobbs, Clare; Brunt, Chris

    2009-01-01

    Using the radiative transfer code Torus, we produce spectral-line cubes of the predicted HI profile from global SPH simulations of spiral galaxies. Torus grids the SPH galaxy using Adaptive Mesh Refinement, then applies a ray-tracing method to infer the HI profile along the line(s) of sight. The

  12. Investigating the Et-1/SphK/S1P Pathway as a Novel Approach for the Prevention of Inflammation-Induced Preterm Birth.

    Science.gov (United States)

    Giusto, Kiersten; Ashby, Charles R

    2018-01-30

    Preterm birth (PTB), defined as birth before 37 completed weeks of gestation, occurs in up to 18 percent of births worldwide and accounts for the majority of perinatal morbidity and mortality. While the single most common cause of PTB has been identified as inflammation, safe and effective pharmacotherapy to prevent PTB has yet to be developed. Our group has used an in vivo model of inflammation driven PTB, biochemical methods, pharmacological approaches, a novel endothelin receptor antagonist that we synthesized and RNA knockdown to help establish the role of endothelin-1 (ET-1) in inflammation-associated PTB. Further, we have used our in vivo model to test whether sphingosine kinase, which acts downstream of ET-1, plays a role in PTB. We have shown that levels of endothelin converting enzyme-1 (ECE-1) and ET-1 are increased when PTB is induced in timed pregnant mice with lipopolysaccharide (LPS) and that blocking ET-1 action, pharmacologically or using ECE-1 RNA silencing, rescues LPS-induced mice from PTB. ET-1 activates the sphingosine kinase/sphingosine-1-phosphate (SphK/S1P) pathway. S1P, in turn, is an important signaling molecule in the pro-inflammatory response. Interestingly, we have shown that SphK inhibition also prevents LPS-induced PTB in timed pregnant mice. Further, we showed that SphK inhibition suppresses the ECE-1/ET-1 axis, implicating positive feedback regulation of the SphK/S1P/ECE-1/ET-1 axis. The ET-1/SphK/SIP pathway is a potential pharmacotherapeutic target for the prevention of PTB. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  13. Essential role for SphK1/S1P signaling to regulate hypoxia-inducible factor 2α expression and activity in cancer.

    Science.gov (United States)

    Bouquerel, P; Gstalder, C; Müller, D; Laurent, J; Brizuela, L; Sabbadini, R A; Malavaud, B; Pyronnet, S; Martineau, Y; Ader, I; Cuvillier, O

    2016-03-14

    The sphingosine kinase-1/sphingosine 1-phosphate (SphK1/S1P) signaling pathway has been reported to modulate the expression of the canonical transcription factor hypoxia-inducible HIF-1α in multiple cell lineages. HIF-2α is also frequently overexpressed in solid tumors but its role has been mostly studied in clear cell renal cell carcinoma (ccRCC), the most common form of kidney cancer, where HIF-2α has been established as a driver of a more aggressive disease. In this study, the role of SphK1/S1P signaling with regard to HIF-2α was investigated in various cancer cell models including ccRCC cells. Under hypoxic conditions or in ccRCC lacking a functional von Hippel-Lindau (VHL) gene and expressing high levels of HIF-2α, SphK1 activity controls HIF-2α expression and transcriptional activity through a phospholipase D (PLD)-driven mechanism. SphK1 silencing promotes a VHL-independent HIF-2α loss of expression and activity and reduces cell proliferation in ccRCC. Importantly, downregulation of SphK1 is associated with impaired Akt and mTOR signaling in ccRCC. Taking advantage of a monoclonal antibody neutralizing extracellular S1P, we show that inhibition of S1P extracellular signaling blocks HIF-2α accumulation in ccRCC cell lines, an effect mimicked when the S1P transporter Spns2 or the S1P receptor 1 (S1P1) is silenced. Here, we report the first evidence that the SphK1/S1P signaling pathway regulates the transcription factor hypoxia-inducible HIF-2α in diverse cancer cell lineages notably ccRCC, where HIF-2α has been established as a driver of a more aggressive disease. These findings demonstrate that SphK1/S1P signaling may act as a canonical regulator of HIF-2α expression in ccRCC, giving support to its inhibition as a therapeutic strategy that could contribute to reduce HIF-2 activity in ccRCC.

  14. 3D SPH numerical simulation of the wave generated by the Vajont rockslide

    Science.gov (United States)

    Vacondio, R.; Mignosa, P.; Pagani, S.

    2013-09-01

    A 3D numerical modeling of the wave generated by the Vajont slide, one of the most destructive ever occurred, is presented in this paper. A meshless Lagrangian Smoothed Particle Hydrodynamics (SPH) technique was adopted to simulate the highly fragmented violent flow generated by the falling slide in the artificial reservoir. The speed-up achievable via General Purpose Graphic Processing Units (GP-GPU) allowed to adopt the adequate resolution to describe the phenomenon. The comparison with the data available in literature showed that the results of the numerical simulation reproduce satisfactorily the maximum run-up, also the water surface elevation in the residual lake after the event. Moreover, the 3D velocity field of the flow during the event and the discharge hydrograph which overtopped the dam, were obtained.

  15. Numerical Simulation of Shear Slitting Process of Grain Oriented Silicon Steel using SPH Method

    Directory of Open Access Journals (Sweden)

    Bohdal Łukasz

    2017-12-01

    Full Text Available Mechanical cutting allows separating of sheet material at low cost and therefore remains the most popular way to produce laminations for electrical machines and transformers. However, recent investigations revealed the deteriorating effect of cutting on the magnetic properties of the material close to the cut edge. The deformations generate elastic stresses in zones adjacent to the area of plastically deformed and strongly affect the magnetic properties. The knowledge about residual stresses is necessary in designing the process. This paper presents the new apprach of modeling residual stresses induced in shear slitting of grain oriented electrical steel using mesh-free method. The applications of SPH (Smoothed Particle Hydrodynamics methodology to the simulation and analysis of 3D shear slitting process is presented. In experimental studies, an advanced vision-based technology based on digital image correlation (DIC for monitoring the cutting process is used.

  16. Crystal Structure of Faradaurate-279: Au279(SPh-tBu)84 Plasmonic Nanocrystal Molecules.

    Science.gov (United States)

    Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G; Dass, Amala

    2017-11-01

    We report the discovery of an unprecedentedly large, 2.2 nm diameter, thiolate protected gold nanocrystal characterized by single crystal X-ray crystallography (sc-XRD), Au 279 (SPh-tBu) 84 named Faradaurate-279 (F-279) in honor of Michael Faraday's (1857) pioneering work on nanoparticles. F-279 nanocrystal has a core-shell structure containing a truncated octahedral core with bulk face-centered cubic-like arrangement, yet a nanomolecule with a precise number of metal atoms and thiolate ligands. The Au 279 S 84 geometry was established from a low-temperature 120 K sc-XRD study at 0.90 Å resolution. The atom counts in core-shell structure of Au 279 follows the mathematical formula for magic number shells: Au@Au 12 @Au 42 @Au 92 @Au 54 , which is further protected by a final shell of Au 48 . Au 249 core is protected by three types of staple motifs, namely: 30 bridging, 18 monomeric, and 6 dimeric staple motifs. Despite the presence of such diverse staple motifs, Au 279 S 84 structure has a chiral pseudo-D 3 symmetry. The core-shell structure can be viewed as nested, concentric polyhedra, containing a total of five forms of Archimedean solids. A comparison between the Au 279 and Au 309 cuboctahedral superatom model in shell-wise growth is illustrated. F-279 can be synthesized and isolated in high purity in milligram quantities using size exclusion chromatography, as evidenced by mass spectrometry. Electrospray ionization-mass spectrometry independently verifies the X-ray diffraction study based heavy atoms formula, Au 279 S 84 , and establishes the molecular formula with the complete ligands, namely, Au 279 (SPh-tBu) 84 . It is also the smallest gold nanocrystal to exhibit metallic behavior, with a surface plasmon resonance band around 510 nm.

  17. Local Group dSph radio survey with ATCA (I): observations and background sources

    Science.gov (United States)

    Regis, Marco; Richter, Laura; Colafrancesco, Sergio; Massardi, Marcella; de Blok, W. J. G.; Profumo, Stefano; Orford, Nicola

    2015-04-01

    Dwarf spheroidal (dSph) galaxies are key objects in near-field cosmology, especially in connection to the study of galaxy formation and evolution at small scales. In addition, dSphs are optimal targets to investigate the nature of dark matter. However, while we begin to have deep optical photometric observations of the stellar population in these objects, little is known so far about their diffuse emission at any observing frequency, and hence on thermal and non-thermal plasma possibly residing within dSphs. In this paper, we present deep radio observations of six local dSphs performed with the Australia Telescope Compact Array (ATCA) at 16 cm wavelength. We mosaicked a region of radius of about 1 deg around three `classical' dSphs, Carina, Fornax, and Sculptor, and of about half of degree around three `ultrafaint' dSphs, BootesII, Segue2, and Hercules. The rms noise level is below 0.05 mJy for all the maps. The restoring beams full width at half-maximum ranged from 4.2 arcsec × 2.5 arcsec to 30.0 arcsec × 2.1 arcsec in the most elongated case. A catalogue including the 1392 sources detected in the six dSph fields is reported. The main properties of the background sources are discussed, with positions and fluxes of brightest objects compared with the FIRST, NVSS, and SUMSS observations of the same fields. The observed population of radio emitters in these fields is dominated by synchrotron sources. We compute the associated source number counts at 2 GHz down to fluxes of 0.25 mJy, which prove to be in agreement with AGN count models.

  18. Incompressible SPH (ISPH) with fast Poisson solver on a GPU

    Science.gov (United States)

    Chow, Alex D.; Rogers, Benedict D.; Lind, Steven J.; Stansby, Peter K.

    2018-05-01

    This paper presents a fast incompressible SPH (ISPH) solver implemented to run entirely on a graphics processing unit (GPU) capable of simulating several millions of particles in three dimensions on a single GPU. The ISPH algorithm is implemented by converting the highly optimised open-source weakly-compressible SPH (WCSPH) code DualSPHysics to run ISPH on the GPU, combining it with the open-source linear algebra library ViennaCL for fast solutions of the pressure Poisson equation (PPE). Several challenges are addressed with this research: constructing a PPE matrix every timestep on the GPU for moving particles, optimising the limited GPU memory, and exploiting fast matrix solvers. The ISPH pressure projection algorithm is implemented as 4 separate stages, each with a particle sweep, including an algorithm for the population of the PPE matrix suitable for the GPU, and mixed precision storage methods. An accurate and robust ISPH boundary condition ideal for parallel processing is also established by adapting an existing WCSPH boundary condition for ISPH. A variety of validation cases are presented: an impulsively started plate, incompressible flow around a moving square in a box, and dambreaks (2-D and 3-D) which demonstrate the accuracy, flexibility, and speed of the methodology. Fragmentation of the free surface is shown to influence the performance of matrix preconditioners and therefore the PPE matrix solution time. The Jacobi preconditioner demonstrates robustness and reliability in the presence of fragmented flows. For a dambreak simulation, GPU speed ups demonstrate up to 10-18 times and 1.1-4.5 times compared to single-threaded and 16-threaded CPU run times respectively.

  19. Little Bear’s pulsating stars: Variable star census of UMi dSph Galaxy

    Directory of Open Access Journals (Sweden)

    Kinemuchi K.

    2017-01-01

    Full Text Available Recent observations and a photometric search for variable stars in the Ursa Minor dwarf spheroidal galaxy (UMi dSph are presented. Our observations were taken at Apache Point Observatory in 2014 and 2016 using the 0.5m ARCSAT telescope and the West Mountain Observatory (WMO 0.9m telescope of Brigham Young University in 2016. Previously known RR Lyrae stars in our field of view of the UMi dSph are identified, and we also catalog new variable star candidates. Tentative classifications are given for some of the new variable stars. We have conducted period searches with the data collected with the WMO telescope. Our ultimate goal is to create an updated catalog of variable stars in the UMi dSph and to compare the RR Lyrae stellar characteristics to other RR Lyrae stars found in the Local Group dSph galaxies.

  20. Identification of a serine proteinase homolog (Sp-SPH) involved in immune defense in the mud crab Scylla paramamosain.

    Science.gov (United States)

    Zhang, Qiu-xia; Liu, Hai-peng; Chen, Rong-yuan; Shen, Kai-li; Wang, Ke-jian

    2013-01-01

    Clip domain serine proteinase homologs are involved in many biological processes including immune response. To identify the immune function of a serine proteinase homolog (Sp-SPH), originally isolated from hemocytes of the mud crab, Scylla paramamosain, the Sp-SPH was expressed recombinantly and purified for further studies. It was found that the Sp-SPH protein could bind to a number of bacteria (including Aeromonas hydrophila, Escherichia coli, Staphylococcus aureus, Vibrio fluvialis, Vibrio harveyi and Vibrio parahemolyticus), bacterial cell wall components such as lipopolysaccharide or peptidoglycan (PGN), and β-1, 3-glucan of fungus. But no direct antibacterial activity of Sp-SPH protein was shown by using minimum inhibitory concentration or minimum bactericidal concentration assays. Nevertheless, the Sp-SPH protein was found to significantly enhance the crab hemocyte adhesion activity (paired t-test, Pparahemolyticus which were both recognized by Sp-SPH protein, if pre-incubated with Sp-SPH protein, respectively. Whereas, the crabs died much faster when challenged with Vibrio alginolyiicus, a pathogenic bacterium not recognized by Sp-SPH protein, compared to those of crabs challenged with A. hydrophila or V. parahemolyticus when pre-coated with Sp-SPH protein. Taken together, these data suggested that Sp-SPH molecule might play an important role in immune defense against bacterial infection in the mud crab S. paramamosain.

  1. Identification of a Serine Proteinase Homolog (Sp-SPH) Involved in Immune Defense in the Mud Crab Scylla paramamosain

    Science.gov (United States)

    Zhang, Qiu-xia; Liu, Hai-peng; Chen, Rong-yuan; Shen, Kai-li; Wang, Ke-jian

    2013-01-01

    Clip domain serine proteinase homologs are involved in many biological processes including immune response. To identify the immune function of a serine proteinase homolog (Sp-SPH), originally isolated from hemocytes of the mud crab, Scylla paramamosain, the Sp-SPH was expressed recombinantly and purified for further studies. It was found that the Sp-SPH protein could bind to a number of bacteria (including Aeromonas hydrophila, Escherichia coli, Staphylococcus aureus, Vibrio fluvialis, Vibrio harveyi and Vibrio parahemolyticus), bacterial cell wall components such as lipopolysaccharide or peptidoglycan (PGN), and β-1, 3-glucan of fungus. But no direct antibacterial activity of Sp-SPH protein was shown by using minimum inhibitory concentration or minimum bactericidal concentration assays. Nevertheless, the Sp-SPH protein was found to significantly enhance the crab hemocyte adhesion activity (paired t-test, Pparahemolyticus which were both recognized by Sp-SPH protein, if pre-incubated with Sp-SPH protein, respectively. Whereas, the crabs died much faster when challenged with Vibrio alginolyiicus, a pathogenic bacterium not recognized by Sp-SPH protein, compared to those of crabs challenged with A. hydrophila or V. parahemolyticus when pre-coated with Sp-SPH protein. Taken together, these data suggested that Sp-SPH molecule might play an important role in immune defense against bacterial infection in the mud crab S. paramamosain. PMID:23724001

  2. Composition Dependence of Surface Phonon Polariton Mode in Wurtzite InxGa1−xN (0 ≤ x ≤ 1) Ternary Alloy

    International Nuclear Information System (INIS)

    Ng, S. S.; Hassan, Z.; Hassan, H. Abu

    2008-01-01

    We present a theoretical study on the composition dependence of the surface phonon polariton (SPP) mode in wurtzite structure α-In x Ga 1-x N ternary alloy over the whole composition range. The SPP modes are obtained by the theoretical simulations by means of an anisotropy model. The results reveal that the SPP mode of α-In x Ga 1-x N semiconductors exhibits one-mode behaviour. From these data, composition dependence of the SPP mode with bowing parameter of −28.9 cm −1 is theoretically obtained

  3. Inhibition of the SphK1/S1P signaling pathway by melatonin in mice with liver fibrosis and human hepatic stellate cells.

    Science.gov (United States)

    González-Fernández, Bárbara; Sánchez, Diana I; Crespo, Irene; San-Miguel, Beatriz; Álvarez, Marcelino; Tuñón, María J; González-Gallego, Javier

    2017-03-01

    The sphingosine kinase 1/sphingosine 1-phosphate (SphK1/S1P) system is involved in different pathological processes, including fibrogenesis. Melatonin abrogates activation of hepatic stellate cells (HSCs) and attenuates different profibrogenic pathways in animal models of fibrosis, but it is unknown if protection associates with its inhibitory effect on the SphK1/S1P axis. Mice in treatment groups received carbon tetrachloride (CCl 4 ) 5 μL g -1 body wt i.p. twice a week for 4 or 6 weeks. Melatonin was given at 5 or 10 mg kg -1  day -1 i.p, beginning 2 weeks after the start of CCl 4 administration. At both 4 and 6 weeks following CCl 4 treatment, liver mRNA levels, protein concentration and immunohistochemical labelling for SphK1 increased significantly. S1P production, and expression of S1P receptor (S1PR)1, S1PR3 and acid sphingomyelinase (ASMase) were significantly elevated. However, there was a decreased expression of S1PR2 and S1P lyase (S1PL). Melatonin attenuated liver fibrosis, as shown by a significant inhibition of the expression of α-smooth muscle actin (α-SMA), transforming growth factor (TGF)-β and collagen (Col) Ι. Furthermore, melatonin inhibited S1P production, lowered expression of SphK1, S1PR1, SP1R3, and ASMase, and increased expression of S1PL. Melatonin induced a reversal of activated human HSCs cell line LX2, as evidenced by a reduction in α-SMA, TGF-β, and Col I expression. Melatonin-treated cells also exhibited an inhibition of the SphK1/S1P axis. Antifibrogenic effect of SphK1 inhibition was confirmed by treatment of LX2 cells with PF543. Abrogation of the lipid signaling pathway by the indole reveals novel molecular pathways that may account for the protective effect of melatonin in liver fibrogenesis. © 2016 BioFactors, 43(2):272-282, 2017. © 2016 International Union of Biochemistry and Molecular Biology.

  4. GRADSPMHD: A parallel MHD code based on the SPH formalism

    Science.gov (United States)

    Vanaverbeke, S.; Keppens, R.; Poedts, S.

    2014-03-01

    We present GRADSPMHD, a completely Lagrangian parallel magnetohydrodynamics code based on the SPH formalism. The implementation of the equations of SPMHD in the “GRAD-h” formalism assembles known results, including the derivation of the discretized MHD equations from a variational principle, the inclusion of time-dependent artificial viscosity, resistivity and conductivity terms, as well as the inclusion of a mixed hyperbolic/parabolic correction scheme for satisfying the ∇ṡB→ constraint on the magnetic field. The code uses a tree-based formalism for neighbor finding and can optionally use the tree code for computing the self-gravity of the plasma. The structure of the code closely follows the framework of our parallel GRADSPH FORTRAN 90 code which we added previously to the CPC program library. We demonstrate the capabilities of GRADSPMHD by running 1, 2, and 3 dimensional standard benchmark tests and we find good agreement with previous work done by other researchers. The code is also applied to the problem of simulating the magnetorotational instability in 2.5D shearing box tests as well as in global simulations of magnetized accretion disks. We find good agreement with available results on this subject in the literature. Finally, we discuss the performance of the code on a parallel supercomputer with distributed memory architecture. Catalogue identifier: AERP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AERP_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 620503 No. of bytes in distributed program, including test data, etc.: 19837671 Distribution format: tar.gz Programming language: FORTRAN 90/MPI. Computer: HPC cluster. Operating system: Unix. Has the code been vectorized or parallelized?: Yes, parallelized using MPI. RAM: ˜30 MB for a

  5. Targeting the SphK1/S1P/S1PR1 Axis That Links Obesity, Chronic Inflammation, and Breast Cancer Metastasis.

    Science.gov (United States)

    Nagahashi, Masayuki; Yamada, Akimitsu; Katsuta, Eriko; Aoyagi, Tomoyoshi; Huang, Wei-Ching; Terracina, Krista P; Hait, Nitai C; Allegood, Jeremy C; Tsuchida, Junko; Yuza, Kizuki; Nakajima, Masato; Abe, Manabu; Sakimura, Kenji; Milstien, Sheldon; Wakai, Toshifumi; Spiegel, Sarah; Takabe, Kazuaki

    2018-04-01

    Although obesity with associated inflammation is now recognized as a risk factor for breast cancer and distant metastases, the functional basis for these connections remain poorly understood. Here, we show that in breast cancer patients and in animal breast cancer models, obesity is a sufficient cause for increased expression of the bioactive sphingolipid mediator sphingosine-1-phosphate (S1P), which mediates cancer pathogenesis. A high-fat diet was sufficient to upregulate expression of sphingosine kinase 1 (SphK1), the enzyme that produces S1P, along with its receptor S1PR1 in syngeneic and spontaneous breast tumors. Targeting the SphK1/S1P/S1PR1 axis with FTY720/fingolimod attenuated key proinflammatory cytokines, macrophage infiltration, and tumor progression induced by obesity. S1P produced in the lung premetastatic niche by tumor-induced SphK1 increased macrophage recruitment into the lung and induced IL6 and signaling pathways important for lung metastatic colonization. Conversely, FTY720 suppressed IL6, macrophage infiltration, and S1P-mediated signaling pathways in the lung induced by a high-fat diet, and it dramatically reduced formation of metastatic foci. In tumor-bearing mice, FTY720 similarly reduced obesity-related inflammation, S1P signaling, and pulmonary metastasis, thereby prolonging survival. Taken together, our results establish a critical role for circulating S1P produced by tumors and the SphK1/S1P/S1PR1 axis in obesity-related inflammation, formation of lung metastatic niches, and breast cancer metastasis, with potential implications for prevention and treatment. Significance: These findings offer a preclinical proof of concept that signaling by a sphingolipid may be an effective target to prevent obesity-related breast cancer metastasis. Cancer Res; 78(7); 1713-25. ©2018 AACR . ©2018 American Association for Cancer Research.

  6. Protective Effect of Protocatechuic Acid on TNBS-Induced Colitis in Mice Is Associated with Modulation of the SphK/S1P Signaling Pathway.

    Science.gov (United States)

    Crespo, Irene; San-Miguel, Beatriz; Mauriz, José Luis; Ortiz de Urbina, Juan José; Almar, Mar; Tuñón, María Jesús; González-Gallego, Javier

    2017-03-16

    (1) Background: The present study aimed to investigate whether beneficial effects of protocatechuic acid (PCA) are associated with inhibition of the SphK/S1P axis and related signaling pathways in a 2,4,6-trinitrobenzenesulfonic acid (TNBS) model of inflammatory bowel disease; (2) Methods: Colitis was induced in male Balb/c mice by intracolonic administration of 2 mg of TNBS. PCA (30 or 60 mg/kg body wt) was given intraperitoneally daily for five days; (3) Results: Administration of PCA prevented the macroscopic and microscopic damage to the colonic mucosa, the decrease in body weight gain and the increase in myeloperoxidase activity induced by TNBS. PCA-treated mice exhibited a lower oxidized/reduced glutathione ratio, increased expression of antioxidant enzymes and Nrf2 and reduced expression of proinflammatory cytokines. Following TNBS treatment mRNA levels, protein concentration and immunohistochemical labelling for SphK1 increased significantly. S1P production and expression of S1P receptor 1 and S1P phosphatase 2 were significantly elevated. However, there was a decreased expression of S1P lyase. Furthermore, TNBS-treated mice exhibited increased phosphorylation of AKT and ERK, and a higher expression of pSTAT3 and the NF-κB p65 subunit. PCA administration significantly prevented those changes; (4) Conclusions: Data obtained suggest a contribution of the SphK/S1P system and related signaling pathways to the anti-inflammatory effect of PCA.

  7. Identification of a serine proteinase homolog (Sp-SPH involved in immune defense in the mud crab Scylla paramamosain.

    Directory of Open Access Journals (Sweden)

    Qiu-xia Zhang

    Full Text Available Clip domain serine proteinase homologs are involved in many biological processes including immune response. To identify the immune function of a serine proteinase homolog (Sp-SPH, originally isolated from hemocytes of the mud crab, Scylla paramamosain, the Sp-SPH was expressed recombinantly and purified for further studies. It was found that the Sp-SPH protein could bind to a number of bacteria (including Aeromonas hydrophila, Escherichia coli, Staphylococcus aureus, Vibrio fluvialis, Vibrio harveyi and Vibrio parahemolyticus, bacterial cell wall components such as lipopolysaccharide or peptidoglycan (PGN, and β-1, 3-glucan of fungus. But no direct antibacterial activity of Sp-SPH protein was shown by using minimum inhibitory concentration or minimum bactericidal concentration assays. Nevertheless, the Sp-SPH protein was found to significantly enhance the crab hemocyte adhesion activity (paired t-test, P<0.05, and increase phenoloxidase activity if triggered by PGN in vitro (paired t-test, P<0.05. Importantly, the Sp-SPH protein was demonstrated to promote the survival rate of the animals after challenge with A. hydrophila or V. parahemolyticus which were both recognized by Sp-SPH protein, if pre-incubated with Sp-SPH protein, respectively. Whereas, the crabs died much faster when challenged with Vibrio alginolyiicus, a pathogenic bacterium not recognized by Sp-SPH protein, compared to those of crabs challenged with A. hydrophila or V. parahemolyticus when pre-coated with Sp-SPH protein. Taken together, these data suggested that Sp-SPH molecule might play an important role in immune defense against bacterial infection in the mud crab S. paramamosain.

  8. Dynamic simulations of geologic materials using combined FEM/DEM/SPH analysis

    Energy Technology Data Exchange (ETDEWEB)

    Morris, J P; Johnson, S M

    2008-03-26

    An overview of the Lawrence Discrete Element Code (LDEC) is presented, and results from a study investigating the effect of explosive and impact loading on geologic materials using the Livermore Distinct Element Code (LDEC) are detailed. LDEC was initially developed to simulate tunnels and other structures in jointed rock masses using large numbers of polyhedral blocks. Many geophysical applications, such as projectile penetration into rock, concrete targets, and boulder fields, require a combination of continuum and discrete methods in order to predict the formation and interaction of the fragments produced. In an effort to model this class of problems, LDEC now includes implementations of Cosserat point theory and cohesive elements. This approach directly simulates the transition from continuum to discontinuum behavior, thereby allowing for dynamic fracture within a combined finite element/discrete element framework. In addition, there are many application involving geologic materials where fluid-structure interaction is important. To facilitate solution of this class of problems a Smooth Particle Hydrodynamics (SPH) capability has been incorporated into LDEC to simulate fully coupled systems involving geologic materials and a saturating fluid. We will present results from a study of a broad range of geomechanical problems that exercise the various components of LDEC in isolation and in tandem.

  9. Analysis of New Aerodynamic Design of the Nose Cone Section Using CFD and SPH

    Directory of Open Access Journals (Sweden)

    Bogdan-Alexandru BELEGA

    2015-06-01

    Full Text Available A new nose cones concept that promises a gain in performance over existing conventional nose cones is discussed in this paper. It is shown that significant performance gains result from the adaptation of the exhaust flow to the ambient pressure. For this complex work, it was necessary to collect and study the various nose cone shapes and the equations describing them? The paper objective was to identify the types of nose cones with ejector channels and specific aerodynamic characteristics of different types of nose cones. The scope of this paper is to develop some prototype profiles with outstanding aerodynamic qualities and low cost for use in construction projects for missile increasing their range and effect on target. The motivation for such a work is caused by a lack of data on aerodynamics for profiles of some nose cones and especially improved aerodynamic qualities that can be used in designing missiles/ rockets. This design method consists of a geometry creation step in which a three-dimensional geometry is generated, a mathematical model presented and a simple flow analysis (FLUENT Simulation from SolidWorks2012 and ANSYS Simulation with SPH for fluid-structure interaction, step which predicts the air intake mass flow rate. Flow phenomena observed in numerical simulations during different nose cone operations are highlighted, critical design aspects and operation conditions are discussed, and performance characteristics of the selected nose cone are presented.

  10. Simulation of the effect of defence structures on granular flows using SPH

    Directory of Open Access Journals (Sweden)

    P. Lachamp

    2002-01-01

    Full Text Available This paper presents the SPH (Smoothed Particles Hydrodynamics numerical method adapted to complex rheology and free surface flow. It has been developed to simulate the local effect of a simple obstacle on a granular flow. We have introduced this specific rheology to the classical formalism of the method and thanks to experimental devices, we were able to validate the results. Two viscosity values have been simultaneously computed to simulate "plugs" and "dead zone" with the same code. First, some experiments have been done on a simple inclined slope to show the accuracy of the numerical results. We have fixed the mass flow rate to see the variations of the flow depth according to the channel slope. Then we put a weir to block the flow and we analysed the dependence between the obstacle height and the length of influence upstream from the obstacle. After having shown that numerical results were consistent, we have studied speed profiles and pressure impact on the structure. Also results with any topography will be presented. This will have a great interest to study real flow over natural topography while using the model for decision help.

  11. Compositional dependences of average positron lifetime in binary As-S/Se glasses

    International Nuclear Information System (INIS)

    Ingram, A.; Golovchak, R.; Kostrzewa, M.; Wacke, S.; Shpotyuk, M.; Shpotyuk, O.

    2012-01-01

    Compositional dependence of average positron lifetime is studied systematically in typical representatives of binary As-S and As-Se glasses. This dependence is shown to be in opposite with molar volume evolution. The origin of this anomaly is discussed in terms of bond free solid angle concept applied to different types of structurally-intrinsic nanovoids in a glass.

  12. Compositional dependences of average positron lifetime in binary As-S/Se glasses

    Energy Technology Data Exchange (ETDEWEB)

    Ingram, A. [Department of Physics of Opole University of Technology, 75 Ozimska str., Opole, PL-45370 (Poland); Golovchak, R., E-mail: roman_ya@yahoo.com [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Kostrzewa, M.; Wacke, S. [Department of Physics of Opole University of Technology, 75 Ozimska str., Opole, PL-45370 (Poland); Shpotyuk, M. [Lviv Polytechnic National University, 12, Bandery str., Lviv, UA-79013 (Ukraine); Shpotyuk, O. [Institute of Physics of Jan Dlugosz University, 13/15al. Armii Krajowej, Czestochowa, PL-42201 (Poland)

    2012-02-15

    Compositional dependence of average positron lifetime is studied systematically in typical representatives of binary As-S and As-Se glasses. This dependence is shown to be in opposite with molar volume evolution. The origin of this anomaly is discussed in terms of bond free solid angle concept applied to different types of structurally-intrinsic nanovoids in a glass.

  13. A technique to remove the tensile instability in weakly compressible SPH

    Science.gov (United States)

    Xu, Xiaoyang; Yu, Peng

    2018-01-01

    When smoothed particle hydrodynamics (SPH) is directly applied for the numerical simulations of transient viscoelastic free surface flows, a numerical problem called tensile instability arises. In this paper, we develop an optimized particle shifting technique to remove the tensile instability in SPH. The basic equations governing free surface flow of an Oldroyd-B fluid are considered, and approximated by an improved SPH scheme. This includes the implementations of the correction of kernel gradient and the introduction of Rusanov flux into the continuity equation. To verify the effectiveness of the optimized particle shifting technique in removing the tensile instability, the impacting drop, the injection molding of a C-shaped cavity, and the extrudate swell, are conducted. The numerical results obtained are compared with those simulated by other numerical methods. A comparison among different numerical techniques (e.g., the artificial stress) to remove the tensile instability is further performed. All numerical results agree well with the available data.

  14. Curcumin ameliorates diabetic nephropathy by inhibiting the activation of the SphK1-S1P signaling pathway.

    Science.gov (United States)

    Huang, Juan; Huang, Kaipeng; Lan, Tian; Xie, Xi; Shen, Xiaoyan; Liu, Peiqing; Huang, Heqing

    2013-01-30

    Curcumin, a major polyphenol from the golden spice Curcuma longa commonly known as turmeric, has been recently discovered to have renoprotective effects on diabetic nephropathy (DN). However, the mechanisms underlying these effects remain unclear. We previously demonstrated that the sphingosine kinase 1-sphingosine 1-phosphate (SphK1-S1P) signaling pathway plays a pivotal role in the pathogenesis of DN. This study aims to investigate whether the renoprotective effects of curcumin on DN are associated with its inhibitory effects on the SphK1-S1P signaling pathway. Our results demonstrated that the expression and activity of SphK1 and the production of S1P were significantly down-regulated by curcumin in diabetic rat kidneys and glomerular mesangial cells (GMCs) exposed to high glucose (HG). Simultaneously, SphK1-S1P-mediated fibronectin (FN) and transforming growth factor-beta 1 (TGF-β1) overproduction were inhibited. In addition, curcumin dose dependently reduced SphK1 expression and activity in GMCs transfected with SphK(WT) and significantly suppressed the increase in SphK1-mediated FN levels. Furthermore, curcumin inhibited the DNA-binding activity of activator protein 1 (AP-1), and c-Jun small interference RNA (c-Jun-siRNA) reversed the HG-induced up-regulation of SphK1. These findings suggested that down-regulation of the SphK1-S1P pathway is probably a novel mechanism by which curcumin improves the progression of DN. Inhibiting AP-1 activation is one of the therapeutic targets of curcumin to modulate the SphK1-S1P signaling pathway, thereby preventing diabetic renal fibrosis. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  15. Numerical Analysis Study of Sarawak Barrage River Bed Erosion and Scouring by Using Smooth Particle Hydrodynamic (SPH)

    Science.gov (United States)

    Zainol, M. R. R. M. A.; Kamaruddin, M. A.; Zawawi, M. H.; Wahab, K. A.

    2017-11-01

    Smooth Particle Hydrodynamic is the three-dimensional (3D) model. In this research work, three cases and one validation have been simulate using DualSPHysics. Study area of this research work was at Sarawak Barrage. The cases have different water level at the downstream. This study actually to simulate riverbed erosion and scouring properties by using multi-phases cases which use sand as sediment and water. The velocity and the scouring profile have been recorded as the result and shown in the result chapter. The result of the validation is acceptable where the scouring profile and the velocity were slightly different between laboratory experiment and simulation. Hence, it can be concluded that the simulation by using SPH can be used as the alternative to simulate the real cases.

  16. IMPETUS: Consistent SPH calculations of 3D spherical Bondi accretion onto a black hole

    Science.gov (United States)

    Ramírez-Velasquez, J. M.; Sigalotti, L. Di G.; Gabbasov, R.; Cruz, F.; Klapp, J.

    2018-04-01

    We present three-dimensional calculations of spherically symmetric Bondi accretion onto a stationary supermassive black hole (SMBH) of mass 108M⊙ within a radial range of 0.02 - 10 pc, using a modified version of the smoothed particle hydrodynamics (SPH) GADGET-2 code, which ensures approximate first-order consistency (i.e., second-order accuracy) for the particle approximation. First-order consistency is restored by allowing the number of neighbours, nneigh, and the smoothing length, h, to vary with the total number of particles, N, such that the asymptotic limits nneigh → ∞ and h → 0 hold as N → ∞. The ability of the method to reproduce the isothermal (γ = 1) and adiabatic (γ = 5/3) Bondi accretion is investigated with increased spatial resolution. In particular, for the isothermal models the numerical radial profiles closely match the Bondi solution, except near the accretor, where the density and radial velocity are slightly underestimated. However, as nneigh is increased and h is decreased, the calculations approach first-order consistency and the deviations from the Bondi solution decrease. The density and radial velocity profiles for the adiabatic models are qualitatively similar to those for the isothermal Bondi accretion. Steady-state Bondi accretion is reproduced by the highly resolved consistent models with a percent relative error of ≲ 1% for γ = 1 and ˜9% for γ = 5/3, with the adiabatic accretion taking longer than the isothermal case to reach steady flow. The performance of the method is assessed by comparing the results with those obtained using the standard GADGET-2 and the GIZMO codes.

  17. Weak Galactic halo-Fornax dSph connection from RR Lyrae stars

    NARCIS (Netherlands)

    Fiorentino, G.; Monelli, M.; Stetson, P. B.; Bono, G.; Gallart, C.; Martínez-Vázquez, C. E.; Bernard, E. J.; Massari, D.; Braga, V. F.; Dall'Ora, M.

    2017-01-01

    Aims: For the first time accurate pulsation properties of the ancient variable stars of the Fornax dwarf spheroidal galaxy (dSph) are discussed in the broad context of galaxy formation and evolution. Methods: Homogeneous multi-band BVI optical photometry of spanning twenty years has allowed us to

  18. Comparing Results of SPH/N-body Impact Simulations Using Both Solid and Rubble-pile Target Asteroids

    Science.gov (United States)

    Durda, Daniel D.; Bottke, W. F.; Enke, B. L.; Nesvorný, D.; Asphaug, E.; Richardson, D. C.

    2006-09-01

    We have been investigating the properties of satellites and the morphology of size-frequency distributions (SFDs) resulting from a suite of 160 SPH/N-body simulations of impacts into 100-km diameter parent asteroids (Durda et al. 2004, Icarus 170, 243-257; Durda et al. 2006, Icarus, in press). These simulations have produced many valuable insights into the outcomes of cratering and disruptive impacts but were limited to monolithic basalt targets. As a natural consequence of collisional evolution, however, many asteroids have undergone a series of battering impacts that likely have left their interiors substantially fractured, if not completely rubblized. In light of this, we have re-mapped the matrix of simulations using rubble-pile target objects. We constructed the rubble-pile targets by filling the interior of the 100-km diameter spherical shell (the target envelope) with randomly sized solid spheres in mutual contact. We then assigned full damage (which reduces tensile and shear stresses to zero) to SPH particles in the contacts between the components; the remaining volume is void space. The internal spherical components have a power-law distribution of sizes simulating fragments of a pre-shattered parent object. First-look analysis of the rubble-pile results indicate some general similarities to the simulations with the monolithic targets (e.g., similar trends in the number of small, gravitationally bound satellite systems as a function of impact conditions) and some significant differences (e.g., size of largest remnants and smaller debris affecting size frequency distributions of resulting families). We will report details of a more thorough analysis and the implications for collisional models of the main asteroid belt. This work is supported by the National Science Foundation, grant number AST0407045.

  19. A SPH Method-based Numerical Simulation of the Space Debris Fragments Interaction with Spacecraft Structure Components

    Directory of Open Access Journals (Sweden)

    V. V. Zelentsov

    2017-01-01

    Full Text Available Significant amount of space debris available in the near-Earth space is a reason to protect space vehicles from the fragments of space debris. Existing empirical calculation methods do not allow us to estimate quality of developed protection. Experimental verification of protection requires complex and expensive installations that do not allow having a desirable impact velocity. The article proposes to use the ANSYS AUTODYN software environment – a software complex of the nonlinear dynamic analysis to evaluate quality of developed protection. The ANSYS AUTODYN environment is based on the integration methods of a system of equations of continuum mechanics. The SPH (smoothed particle method method is used as a solver. The SPH method is based on the area of sampling by a finite set of the Lagrangian particles that can be represented as the elementary volumes of the medium. In modeling the targets were under attack of 2 and 3 mm spheres and cylinders with 2 mm in bottom diameter and with generator of 2 and 3 mm. The apheres and cylinders are solid and hollow, with a wall thickness of 0.5 mm. The impact velocity of the particles with a target was assumed to be 7.5 km / s. The number of integration cycles in all cases of calculation was assumed to be 1000. The rate of flying debris fragments of the target material as a function of the h / d ratio (h - the thickness of the target, / d - the diameter of a sphere or a cylinder end is obtained. In simulation the sample picture obtained coincides both with results of experimental study carried out at the Tomsk State Technical University and  with results described in the literature.

  20. [Ag67(SPhMe2)32(PPh3)8]3+: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster

    KAUST Repository

    Alhilaly, Mohammad J.; Bootharaju, Megalamane Siddaramappa; Joshi, Chakra Prasad; Besong, Tabot M.D.; Emwas, Abdul-Hamid M.; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Hakkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman

    2016-01-01

    Engineering the surface ligands of metal nanoparticles is critical in designing unique arrangements of metal atoms. Here, we report the synthesis and total structure determination of a large box-shaped Ag-67 nanocluster (NC) protected by a mixed shell of thiolate (2,4-dimethylbenzenethiolate, SPhMe2) and phosphine (triphenylphosphine, PPh3) ligands. Single crystal X-ray diffraction (SCXRD) and electrospray ionization mass spectrometry (ESI-MS) revealed the cluster formula to be [Ag-67(SPhMe2)(32)(PPh3)(8)](3+). The crystal structure shows an Ag-23 metal core covered by a layer of Ag44S32P8 arranged in the shape of a box. The Ag-13, core was formed through an unprecedented centered cuboctahedron, i.e., Ag-13, unlike the common centered Ag-13 icosahedron geometry. Two types of ligand motifs, eight AgS3P and eight bridging thiols, were found to stabilize the whole cluster. The optical spectrum of this NC displayed highly structured multiple absorption peaks. The electronic structure and optical spectrum of Ag-67 were computed using time-dependent density functional theory (TDDFT) for both the full cluster [Ag-67(SPhMe2)(32)(PPh3)(8)](3+) and a reduced model [Ag-67(SH)(32)(PH3)(8)](3+). The lowest metal-to-metal transitions in the range 500-800 nm could be explained by considering the reduced model that shows almost identical electronic states to 32 free electrons in a jellium box. The successful synthesis of the large box-shaped Ag-67 NC facilitated by the combined use of phosphine and thiol paves the way for synthesizing other metal clusters with unprecedented shapes by judicious choice of thiols and phosphines.

  1. [Ag67(SPhMe2)32(PPh3)8]3+: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster

    KAUST Repository

    Alhilaly, Mohammad J.

    2016-10-13

    Engineering the surface ligands of metal nanoparticles is critical in designing unique arrangements of metal atoms. Here, we report the synthesis and total structure determination of a large box-shaped Ag-67 nanocluster (NC) protected by a mixed shell of thiolate (2,4-dimethylbenzenethiolate, SPhMe2) and phosphine (triphenylphosphine, PPh3) ligands. Single crystal X-ray diffraction (SCXRD) and electrospray ionization mass spectrometry (ESI-MS) revealed the cluster formula to be [Ag-67(SPhMe2)(32)(PPh3)(8)](3+). The crystal structure shows an Ag-23 metal core covered by a layer of Ag44S32P8 arranged in the shape of a box. The Ag-13, core was formed through an unprecedented centered cuboctahedron, i.e., Ag-13, unlike the common centered Ag-13 icosahedron geometry. Two types of ligand motifs, eight AgS3P and eight bridging thiols, were found to stabilize the whole cluster. The optical spectrum of this NC displayed highly structured multiple absorption peaks. The electronic structure and optical spectrum of Ag-67 were computed using time-dependent density functional theory (TDDFT) for both the full cluster [Ag-67(SPhMe2)(32)(PPh3)(8)](3+) and a reduced model [Ag-67(SH)(32)(PH3)(8)](3+). The lowest metal-to-metal transitions in the range 500-800 nm could be explained by considering the reduced model that shows almost identical electronic states to 32 free electrons in a jellium box. The successful synthesis of the large box-shaped Ag-67 NC facilitated by the combined use of phosphine and thiol paves the way for synthesizing other metal clusters with unprecedented shapes by judicious choice of thiols and phosphines.

  2. Evidence of enrichment by individual SN from elemental abundance ratios in the very metal-poor dSph galaxy Boötes I

    Science.gov (United States)

    Feltzing, S.; Eriksson, K.; Kleyna, J.; Wilkinson, M. I.

    2009-12-01

    Aims. We establish the mean metallicity from high-resolution spectroscopy for the recently found dwarf spheroidal galaxy Boötes I and test whether it is a common feature for ultra-faint dwarf spheroidal galaxies to show signs of inhomogeneous chemical evolution (e.g. as found in the Hercules dwarf spheroidal galaxy). Methods: We analyse high-resolution, moderate signal-to-noise spectra for seven red giant stars in the Boötes I dSph galaxy using standard abundance analysis techniques. In particular, we assume local thermodynamic equilibrium and employ spherical model atmospheres and codes that take the sphericity of the star into account when calculating the elemental abundances. Results: We confirm previous determinations of the mean metallicity of the Boötes I dwarf spheroidal galaxy to be -2.3 dex. Whilst five stars are clustered around this metallicity, one is significantly more metal-poor, at -2.9 dex, and one is more metal-rich at, -1.9 dex. Additionally, we find that one of the stars, Boo-127, shows an atypically high [Mg/Ca] ratio, indicative of stochastic enrichment processes within the dSph galaxy. Similar results have previously only been found in the Hercules and Draco dSph galaxies and appear, so far, to be unique to this type of galaxy. The data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation.

  3. Compositional Dependence Of Hardness Of Ge-Sb-Se Glass For Molded Lens Applications

    Directory of Open Access Journals (Sweden)

    Park J.K.

    2015-06-01

    Full Text Available Chalcogenide glass in the ternary Ge-Sb-Se system is inherently moldable, thus being considered as a strong candidate material for use in infrared-transmitting lens applications from the viewpoint of thermal and mechanical stability. In an effort to experimentally determine compositional region suitable for the molded lens applications, we evaluate its compositional dependence of hardness. Among the constituent atoms, Ge content turns out to exert a most conspicuous correlation with hardness. This phenomenological behavior is then explained in connection with the structural evolution that Ge brings about.

  4. New limits on the detection of a composition-dependent macroscopic force

    International Nuclear Information System (INIS)

    Boynton, P.; Aronson, S.

    1990-01-01

    We report here on a continuing experimental search for a macroscopic, composition dependent force coupling to ordinary matter. Within the phenomenological framework commonly employed -- a Yukawa representation of the interaction potential, and composition specified as some linear combination of baryon and lepton numbers -- the Index 3 experiment sets the most stringent upper limits yet on the interaction strength for coupling from B-2L to B-L, and for an interaction range from 200 m to 10 km. It is also the first null result to conflict with the marginal detection reported for the Index 1 experiment for all relevant values of the composition and range parameters

  5. Strong composition dependence of adhesive properties of ultraviolet curing adhesives with modified acrylates

    Science.gov (United States)

    Feng, Yefeng; Li, Yandong; Wang, Fupeng; Peng, Cheng; Xu, Zhichao; Hu, Jianbing

    2018-05-01

    Ultraviolet (UV) curable adhesives have been widely researched in fields of health care and electronic components. UV curing systems with modified acrylic ester prepolymers have been frequently employed. In order to clarify composition dependence of adhesive properties of adhesives containing modified acrylates, in this work, several UV curing adhesives bearing urethane and epoxy acrylates were designed and fabricated. The effects of prepolymer, diluent, feed ratio, initiator and assistant on adhesive performances were investigated. This work might offer a facile route to gain promising high-performance UV curable adhesives with desired adhesive traits through regulating their compositions.

  6. Identification of a novel SPLIT-HULL (SPH) gene associated with hull splitting in rice (Oryza sativa L.).

    Science.gov (United States)

    Lee, Gileung; Lee, Kang-Ie; Lee, Yunjoo; Kim, Backki; Lee, Dongryung; Seo, Jeonghwan; Jang, Su; Chin, Joong Hyoun; Koh, Hee-Jong

    2018-07-01

    The split-hull phenotype caused by reduced lemma width and low lignin content is under control of SPH encoding a type-2 13-lipoxygenase and contributes to high dehulling efficiency. Rice hulls consist of two bract-like structures, the lemma and palea. The hull is an important organ that helps to protect seeds from environmental stress, determines seed shape, and ensures grain filling. Achieving optimal hull size and morphology is beneficial for seed development. We characterized the split-hull (sph) mutant in rice, which exhibits hull splitting in the interlocking part between lemma and palea and/or the folded part of the lemma during the grain filling stage. Morphological and chemical analysis revealed that reduction in the width of the lemma and lignin content of the hull in the sph mutant might be the cause of hull splitting. Genetic analysis indicated that the mutant phenotype was controlled by a single recessive gene, sph (Os04g0447100), which encodes a type-2 13-lipoxygenase. SPH knockout and knockdown transgenic plants displayed the same split-hull phenotype as in the mutant. The sph mutant showed significantly higher linoleic and linolenic acid (substrates of lipoxygenase) contents in spikelets compared to the wild type. It is probably due to the genetic defect of SPH and subsequent decrease in lipoxygenase activity. In dehulling experiment, the sph mutant showed high dehulling efficiency even by a weak tearing force in a dehulling machine. Collectively, the results provide a basis for understanding of the functional role of lipoxygenase in structure and maintenance of hulls, and would facilitate breeding of easy-dehulling rice.

  7. Au 38 (SPh) 24 : Au 38 Protected with Aromatic Thiolate Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Rambukwella, Milan; Burrage, Shayna; Neubrander, Marie; Baseggio, Oscar; Aprà, Edoardo; Stener, Mauro; Fortunelli, Alessandro; Dass, Amala

    2017-03-21

    Au38(SR)24 is one of the most extensively investigated gold nanomolecules along with Au25(SR)18 and Au144(SR)60. However, so far it has only been prepared using aliphatic-like ligands, where R = –SC6H13, -SC12H25 and –SCH2CH2Ph. Au38(SCH2CH2Ph)24 when reacted with HSPh undergoes core-size conversion to Au36(SPh)24, and existing literature suggest that Au38(SPh)24 cannot be synthesized. Here, contrary to prevailing knowledge, we demonstrate that Au38(SPh)24 can be prepared if the ligand exchanged conditions are optimized, without any formation of Au36(SPh)24. Conclusive evidence is presented in the form of MALDI-MS, ESI-MS characterization, and optical spectra of Au38(SPh)24 in a solid glass form showing distinct differences from that of Au38(S-aliphatic)24. Theoretical analysis confirms experimental assignment of the optical spectrum and shows that the stability of Au38(SPh)24 is comparable to that of its aliphatic analogues, but results from different physical origins, with a significant component of ligand-ligand attractive interactions.

  8. Dark matter in the Reticulum II dSph: a radio search

    Science.gov (United States)

    Regis, Marco; Richter, Laura; Colafrancesco, Sergio

    2017-07-01

    We present a deep radio search in the Reticulum II dwarf spheroidal (dSph) galaxy performed with the Australia Telescope Compact Array. Observations were conducted at 16 cm wavelength, with an rms sensitivity of 0.01 mJy/beam, and with the goal of searching for synchrotron emission induced by annihilation or decay of weakly interacting massive particles (WIMPs). Data were complemented with observations on large angular scales taken with the KAT-7 telescope. We find no evidence for a diffuse emission from the dSph and we derive competitive bounds on the WIMP properties. In addition, we detect more than 200 new background radio sources. Among them, we show there are two compelling candidates for being the radio counterpart of the possible γ-ray emission reported by other groups using Fermi-LAT data.

  9. Dark matter in the Reticulum II dSph: a radio search

    International Nuclear Information System (INIS)

    Regis, Marco; Richter, Laura; Colafrancesco, Sergio

    2017-01-01

    We present a deep radio search in the Reticulum II dwarf spheroidal (dSph) galaxy performed with the Australia Telescope Compact Array. Observations were conducted at 16 cm wavelength, with an rms sensitivity of 0.01 mJy/beam, and with the goal of searching for synchrotron emission induced by annihilation or decay of weakly interacting massive particles (WIMPs). Data were complemented with observations on large angular scales taken with the KAT-7 telescope. We find no evidence for a diffuse emission from the dSph and we derive competitive bounds on the WIMP properties. In addition, we detect more than 200 new background radio sources. Among them, we show there are two compelling candidates for being the radio counterpart of the possible γ-ray emission reported by other groups using Fermi-LAT data.

  10. Composition-dependent magnetic response properties of Mn1 -xFexGe alloys

    Science.gov (United States)

    Mankovsky, S.; Wimmer, S.; Polesya, S.; Ebert, H.

    2018-01-01

    The composition-dependent behavior of the Dzyaloshinskii-Moriya interaction (DMI), the spin-orbit torque (SOT), as well as anomalous and spin Hall conductivities of Mn1 -xFexGe alloys have been investigated by first-principles calculations using the relativistic multiple scattering Korringa-Kohn-Rostoker (KKR) formalism. The Dxx component of the DMI exhibits a strong dependence on the Fe concentration, changing sign at x ≈0.85 in line with previous theoretical calculations as well as with experimental results demonstrating the change of spin helicity at x ≈0.8 . A corresponding behavior with a sign change at x ≈0.5 is predicted also for the Fermi-sea contribution to the SOT, because this is closely related to the DMI. In the case of anomalous and spin Hall effects it is shown that the calculated Fermi-sea contributions are rather small and the composition-dependent behavior of these effects are determined mainly by the electronic states at the Fermi level. The spin-orbit-induced scattering mechanisms responsible for both these effects suggest a common origin of the minimum of the anomalous Hall effect and the sign change of the spin Hall effect conductivities.

  11. Programme de soutien à l'interaction avec la sphère des politiques ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Programme de soutien à l'interaction avec la sphère des politiques et à la communication de l'Initiative Think tank. Les think tanks des pays en développement entendent effectuer des recherches de qualité fondées sur des données probantes pour contribuer à la résolution d'enjeux en matière de politiques dans les pays ...

  12. Culture et exercice du pouvoir par les femmes dans les sphères de ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Culture et exercice du pouvoir par les femmes dans les sphères de décisions en Afrique de l'Ouest. Cette recherche s'inscrit dans le contexte d'une superposition de deux faits : l'existence d'un arsenal juridique et de dispositions nationales et internationales favorables à une intégration des femmes dans les instances de ...

  13. Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].

    Science.gov (United States)

    Eichhöfer, Andreas; Buth, Gernot

    2016-11-01

    Reactions of [Co(N(SiMe 3 ) 2 ) 2 thf] with 2.1 equiv. of MesSH (Mes = C 6 H 2 -2,4,6-(CH 3 ) 3 ) yield dark brown crystals of the one dimensional chain compound [Co(SMes) 2 ]. In contrast reactions of [Co(N(SiMe 3 ) 2 ) 2 thf] with 2.1 equiv. of PhSH result in the formation of a dark brown almost X-ray amorphous powder of 'Co(SPh) 2 '. Addition of aliquots of CH 3 OH to the latter reaction resulted in the almost quantitative formation of crystalline ammonia thiolato complexes either [Co(SPh) 2 (NH 3 ) 2 ] or [Co(SPh) 2 NH 3 ]. Single crystal XRD reveals that [Co(SPh) 2 NH 3 ] forms one-dimensional chains in the crystal via μ 2 -SPh bridges whereas [Co(SPh) 2 (NH 3 ) 2 ] consists at a first glance of isolated distorted tetrahedral units. Magnetic measurements suggest strong antiferromagnetic coupling for the two chain compounds [Co(SMes) 2 ] (J = -38.6 cm -1 ) and [Co(SPh) 2 NH 3 ] (J = -27.1 cm -1 ). Interestingly, also the temperature dependence of the susceptibility of tetrahedral [Co(SPh) 2 (NH 3 ) 2 ] shows an antiferromagnetic transition at around 6 K. UV-Vis-NIR spectra display d-d bands in the NIR region between 500 and 2250 nm. Thermal gravimetric analysis of [Co(SPh) 2 (NH 3 ) 2 ] and [Co(SPh) 2 NH 3 ] reveals two well separated cleavage processes for NH 3 and SPh 2 upon heating accompanied by the stepwise formation of 'Co(SPh) 2 ' and cobalt sulfide.

  14. Temperature and composition dependent density of states extracted using overlapping large polaron tunnelling model in Mn{sub x}Co{sub 1−x}Fe{sub 2}O{sub 4} (x=0.25, 0.5, 0.75) nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Jamil, Arifa; Afsar, M.F. [Micro and Nano Devices Group, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, PO Nilore, Islamabad 45650 (Pakistan); Sher, F. [Department of Chemistry, SSE, Lahore University of Management Sciences, Lahore 54000 (Pakistan); Rafiq, M.A., E-mail: aftab@cantab.net [Micro and Nano Devices Group, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, PO Nilore, Islamabad 45650 (Pakistan)

    2017-03-15

    We report detailed ac electrical and structural characterization of manganese cobalt ferrite nanoparticles, prepared by coprecipitation technique. X-ray diffraction (XRD) confirmed single-phase cubic spinel structure of the nanoparticles. Tetrahedral (A) and octahedral (B) group complexes were present in the spinel lattice as determined by Fourier Transform Infrared Spectroscopy (FTIR). Scanning Electron Microscope (SEM) images revealed presence of spherical shape nanoparticles having an average diameter ~50–80 nm. Composition, temperature and frequency dependent ac electrical study of prepared nanoparticles interpreted the role of cationic distribution between A and B sites. Overlapping large polaron tunnelling (OLPT) conduction mechanism was observed from 290 to 200 K. Frequency exponent s was fitted theoretically using OLPT model. High values of Density of States (DOS) of the order of 10{sup 22}–10{sup 24} eV{sup −1} cm{sup −3} were extracted from ac conductivity for different compositions. We found that DOS was dependent on distribution of cations in the tunnel-type cavities along the a and b axis.

  15. Landslides and tsunamis predicted by incompressible smoothed particle hydrodynamics (SPH) with application to the 1958 Lituya Bay event and idealized experiment.

    Science.gov (United States)

    Xenakis, A M; Lind, S J; Stansby, P K; Rogers, B D

    2017-03-01

    Tsunamis caused by landslides may result in significant destruction of the surroundings with both societal and industrial impact. The 1958 Lituya Bay landslide and tsunami is a recent and well-documented terrestrial landslide generating a tsunami with a run-up of 524 m. Although recent computational techniques have shown good performance in the estimation of the run-up height, they fail to capture all the physical processes, in particular, the landslide-entry profile and interaction with the water. Smoothed particle hydrodynamics (SPH) is a versatile numerical technique for describing free-surface and multi-phase flows, particularly those that exhibit highly nonlinear deformation in landslide-generated tsunamis. In the current work, the novel multi-phase incompressible SPH method with shifting is applied to the Lituya Bay tsunami and landslide and is the first methodology able to reproduce realistically both the run-up and landslide-entry as documented in a benchmark experiment. The method is the first paper to develop a realistic implementation of the physics that in addition to the non-Newtonian rheology of the landslide includes turbulence in the water phase and soil saturation. Sensitivity to the experimental initial conditions is also considered. This work demonstrates the ability of the proposed method in modelling challenging environmental multi-phase, non-Newtonian and turbulent flows.

  16. Composition-Dependent Energy Splitting between Bright and Dark Excitons in Lead Halide Perovskite Nanocrystals.

    Science.gov (United States)

    Chen, Lan; Li, Bin; Zhang, Chunfeng; Huang, Xinyu; Wang, Xiaoyong; Xiao, Min

    2018-03-14

    Perovskite semiconductor nanocrystals with different compositions have shown promise for applications in light-emitting devices. Dark excitonic states may suppress light emission from such nanocrystals by providing an additional nonradiative recombination channel. Here, we study the composition dependence of dark exciton dynamics in nanocrystals of lead halides by time-resolved photoluminescence spectroscopy at cryogenic temperatures. The presence of a spin-related dark state is revealed by magneto-optical spectroscopy. The energy splitting between bright and dark states is found to be highly sensitive to both halide elements and organic cations, which is explained by considering the effects of size confinement and charge screening, respectively, on the exchange interaction. These findings suggest the possibility of manipulating dark exciton dynamics in perovskite semiconductor nanocrystals by composition engineering, which will be instrumental in the design of highly efficient light-emitting devices.

  17. The process of earthflow propagation: insights from an application of the SPH technique to a case history

    Science.gov (United States)

    Lollino, Piernicola; Giordan, Daniele; Allasia, Paolo; Pastor, Manuel

    2016-04-01

    . The SPH numerical results of the Montaguto earthflow propagation seem to be in good agreement with the field observations in terms of both movement direction, run-out distance and thickness of the debris soil mass. The modelling results confirm that these landslide processes can be efficiently modelled by means of the SPH numerical technique, providing that a soil rheology capable of taking into account the main features of the soil behavior that affect the earthflow mobility is used.

  18. A Comparison of Grid-based and SPH Binary Mass-transfer and Merger Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Motl, Patrick M. [Indiana University Kokomo, School of Sciences, P.O. Box 9003, Kokomo, IN 46903-9004 (United States); Frank, Juhan; Clayton, Geoffrey C.; Tohline, Joel E. [Louisiana State University, Department of Physics and Astronomy, 202 Nicholson Hall, Baton Rouge, LA 70803-4001 (United States); Staff, Jan [College of Science and Math, University of Virgin Islands, St. Thomas, United States Virgin Islands 00802 (United States); Fryer, Christopher L.; Even, Wesley [Center for Theoretical Astrophysics/CCS-2, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, NM 87545 (United States); Diehl, Steven, E-mail: pmotl@iuk.edu [TLT-Turbo GmbH, Gleiwitzstrasse 7, 66482 Zweibrücken (Germany)

    2017-04-01

    There is currently a great amount of interest in the outcomes and astrophysical implications of mergers of double degenerate binaries. In a commonly adopted approximation, the components of such binaries are represented by polytropes with an index of n  = 3/2. We present detailed comparisons of stellar mass-transfer and merger simulations of polytropic binaries that have been carried out using two very different numerical algorithms—a finite-volume “grid” code and a smoothed-particle hydrodynamics (SPH) code. We find that there is agreement in both the ultimate outcomes of the evolutions and the intermediate stages if the initial conditions for each code are chosen to match as closely as possible. We find that even with closely matching initial setups, the time it takes to reach a concordant evolution differs between the two codes because the initial depth of contact cannot be matched exactly. There is a general tendency for SPH to yield higher mass transfer rates and faster evolution to the final outcome. We also present comparisons of simulations calculated from two different energy equations: in one series, we assume a polytropic equation of state and in the other series an ideal gas equation of state. In the latter series of simulations, an atmosphere forms around the accretor, which can exchange angular momentum and cause a more rapid loss of orbital angular momentum. In the simulations presented here, the effect of the ideal equation of state is to de-stabilize the binary in both SPH and grid simulations, but the effect is more pronounced in the grid code.

  19. Sequential creep-fatigue interaction in austenitic stainless steel type 316L-SPH

    International Nuclear Information System (INIS)

    Tavassoli, A.A.; Mottot, M.; Petrequin, P.

    1986-01-01

    Influence of a prior creep or fatigue exposure on subsequent fatigue or creep properties of stainless steel type 316 L SPH has been investigated. The results obtained are used to verify the validity of time and cycle fraction rule and to obtain information on the effect of very long intermittent hold times on low cycle fatigue properties, as well as on transitory loads occurring during normal service of some structural components of LMFBR reactors. Creep and fatigue tests have been carried out at 600 0 C and under conditions yielding equal or different fatigue saturation and creep stresses. Prior creep damage levels introduced range from primary to tertiary creep, whilst those of fatigue span from 20 to 70 percent of fatigue life. In both creep-fatigue and fatigue-creep sequences in the absence of a permanent prior damage (cavitation or cracking) the subsequent resistance of 316 L-SPH to fatigue or creep is unchanged, if not improved. Thin foils prepared from the specimens confirmed these observations and showed that the dislocation substructure developed during the first mode of testing is quickly replaced by that of the second mode. Grain boundary cavitation does not occur in 316 L-SPH during creep exposures to well beyond the apparent end of secondary stage and as a result prior creep exposures up to approximately 80% of rupture life do not affect fatigue properties. Conversely, significant surface cracks were found in the prior fatigue tested specimens after above about 50% life. In the presence of such cracks the subsequent creep damage was localized at the tip of the main crack and the remaining creep life was found to be usually proportional to the effective specimen cross section. Creep and fatigue sequential damage are not necessarily additive and this type of loadings are in general less severe than the repeated creep-fatigue cycling. 17 refs.

  20. Overview of SPH-ALE applications for hydraulic turbines in ANDRITZ Hydro

    Science.gov (United States)

    Rentschler, M.; Marongiu, J. C.; Neuhauser, M.; Parkinson, E.

    2018-02-01

    Over the past 13 years, ANDRITZ Hydro has developed an in-house tool based on the SPH-ALE method for applications in flow simulations in hydraulic turbines. The initial motivation is related to the challenging simulation of free surface flows in Pelton turbines, where highly dynamic water jets interact with rotating buckets, creating thin water jets traveling inside the housing and possibly causing disturbances on the runner. The present paper proposes an overview of industrial applications allowed by the developed tool, including design evaluation of Pelton runners and casings, transient operation of Pelton units and free surface flows in hydraulic structures.

  1. Strong composition-dependent disorder in InAs1-xNx alloys

    International Nuclear Information System (INIS)

    Benaissa, H.; Zaoui, A.; Ferhat, M.

    2009-01-01

    We investigate the main causes of disorder in the InAs 1-x N x alloys (x = 0, 0.03125, 0.0625, 0.09375, 0.125, 0.25, 0.5, 0.75, 0.875, 0.90625, 0.9375, 0.96875 and 1). The calculation is based on the density-functional theory in the local-density approximation. We use a plane wave-expansion non-norm conserving ab initio Vanderbilt pseudopotentials. To avoid the difficulty of considering the huge number of atomic configurations, we use an appropriate strategy in which we consider four configurations for a given composition where the N atoms are not randomly distributed. We mainly show that the band gap decreases (increases) rapidly with increasing (decreasing) compositions of N. As a consequence the optical band gap bowing is found to be strong and composition dependent. The obtained compounds, from these alloys, may change from semi-conducting to metal (passing to a negative bowing) and could be useful for device applications, especially at certain composition.

  2. Metastatic triple-negative breast cancer is dependent on SphKs/S1P signaling for growth and survival.

    Science.gov (United States)

    Maiti, Aparna; Takabe, Kazuaki; Hait, Nitai C

    2017-04-01

    About 40,000 American women die from metastatic breast cancer each year despite advancements in treatment. Approximately, 15% of breast cancers are triple-negative for estrogen receptor, progesterone receptor, and HER2. Triple-negative cancer is characterized by more aggressive, harder to treat with conventional approaches and having a greater possibility of recurrence. Sphingosine-1-phosphate (S1P) is a bioactive sphingolipid signaling mediator has emerged as a key regulatory molecule in breast cancer progression. Therefore, we investigated whether cytosolic sphingosine kinase type 1 (SphK1) and nuclear sphingosine kinase type 2 (SphK2), the enzymes that make S1P are critical for growth and PI3K/AKT, ERK-MAP kinase mediated survival signaling of lung metastatic variant LM2-4 breast cancer cells, generated from the parental triple-negative MDA-MB-231 human breast cancer cell line. Similar with previous report, SphKs/S1P signaling is critical for the growth and survival of estrogen receptor positive MCF-7 human breast cancer cells, was used as our study control. MDA-MB-231 did not show a significant effect of SphKs/S1P signaling on AKT, ERK, and p38 pathways. In contrast, LM2-4 cells that gained lung metastatic phenotype from primary MDA-MB-231 cells show a significant effect of SphKs/S1P signaling requirement on cell growth, survival, and cell motility. PF-543, a selective potent inhibitor of SphK1, attenuated epidermal growth factor (EGF)-mediated cell growth and survival signaling through inhibition of AKT, ERK, and p38 MAP kinase pathways mainly in LM2-4 cells but not in parental MDA-MB-231 human breast cancer cells. Moreover, K-145, a selective inhibitor of SphK2, markedly attenuated EGF-mediated cell growth and survival of LM2-4 cells. We believe this study highlights the importance of SphKs/S1P signaling in metastatic triple-negative breast cancers and targeted therapies. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Temperature and composition dependence of magnetic properties of cobalt-chromium co-substituted magnesium ferrite nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed, E-mail: mjiqauchem@yahoo.com [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Ahmad, Zahoor [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Meydan, Turgut; Melikhov, Yevgen [Wolfson Center for Magnetics, School of Engineering, Cardiff University, Cardiff CF24 3AA (United Kingdom)

    2012-11-15

    The temperature and composition dependence of magnetic properties of Co-Cr co-substituted magnesium ferrite, Mg{sub 1-x}Co{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x=0.0-0.5), prepared by novel polyethylene glycol assisted microemulsion method, are studied. The synthesized materials are characterized by the Moessbauer spectrometer and standard magnetic measurements. Major hysteresis loops are measured up to the magnetic field of 50 kOe at 300, 200 and 100 K. The high field regimes of these loops are modeled using the Law of Approach to saturation to determine the first-order cubic anisotropy coefficient and saturation magnetization. Both the saturation magnetization and the anisotropy coefficient are observed to increase with the decrease in temperature for all Co-Cr co-substitution levels. Also, both the saturation magnetization and the anisotropy coefficient achieved maximum value at x=0.3 and x=0.2, respectively. Explanation of the observed behavior is proposed in terms of the site occupancy of the co-substituent, Co{sup 2+} and Cr{sup 3+} in the cubic spinel lattice. - Highlights: Black-Right-Pointing-Pointer Mg{sub 1-x}Co{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} are synthesized by novel PEG assisted microemulsion method. Black-Right-Pointing-Pointer Co-Cr occupied octahedral site confirmed by the Moessbauer analysis. Black-Right-Pointing-Pointer High field regime of M-H loops are modeled using the Law of Approach to saturation. Black-Right-Pointing-Pointer The values of M{sub S}, M{sub r}, H{sub C} and K{sub 1} are found to increase with decreasing temperature.

  4. A splitting integration scheme for the SPH simulation of concentrated particle suspensions

    Science.gov (United States)

    Bian, Xin; Ellero, Marco

    2014-01-01

    Simulating nearly contacting solid particles in suspension is a challenging task due to the diverging behavior of short-range lubrication forces, which pose a serious time-step limitation for explicit integration schemes. This general difficulty limits severely the total duration of simulations of concentrated suspensions. Inspired by the ideas developed in [S. Litvinov, M. Ellero, X.Y. Hu, N.A. Adams, J. Comput. Phys. 229 (2010) 5457-5464] for the simulation of highly dissipative fluids, we propose in this work a splitting integration scheme for the direct simulation of solid particles suspended in a Newtonian liquid. The scheme separates the contributions of different forces acting on the solid particles. In particular, intermediate- and long-range multi-body hydrodynamic forces, which are computed from the discretization of the Navier-Stokes equations using the smoothed particle hydrodynamics (SPH) method, are taken into account using an explicit integration; for short-range lubrication forces, velocities of pairwise interacting solid particles are updated implicitly by sweeping over all the neighboring pairs iteratively, until convergence in the solution is obtained. By using the splitting integration, simulations can be run stably and efficiently up to very large solid particle concentrations. Moreover, the proposed scheme is not limited to the SPH method presented here, but can be easily applied to other simulation techniques employed for particulate suspensions.

  5. Compositional dependence of the Young's modulus and piezoelectric coefficient of (110)-oriented pulsed laser deposited PZT thin films

    NARCIS (Netherlands)

    Nazeer, H.; Nguyen, Duc Minh; Rijnders, Augustinus J.H.M.; Sardan Sukas, Ö.; Abelmann, Leon; Elwenspoek, Michael Curt

    2014-01-01

    In this contribution, we report on the compositional dependence of the mechanical and piezoelectric properties of Pb(ZrₓTi₿₋ₓ)O₃ (PZT) thin films fabricated by pulsed laser deposition (PLD). These films grow epitaxially on silicon with a (110) preferred orientation and have excellent piezoelectric

  6. Comparing AMR and SPH Cosmological Simulations. I. Dark Matter and Adiabatic Simulations

    Science.gov (United States)

    O'Shea, Brian W.; Nagamine, Kentaro; Springel, Volker; Hernquist, Lars; Norman, Michael L.

    2005-09-01

    We compare two cosmological hydrodynamic simulation codes in the context of hierarchical galaxy formation: the Lagrangian smoothed particle hydrodynamics (SPH) code GADGET, and the Eulerian adaptive mesh refinement (AMR) code Enzo. Both codes represent dark matter with the N-body method but use different gravity solvers and fundamentally different approaches for baryonic hydrodynamics. The SPH method in GADGET uses a recently developed ``entropy conserving'' formulation of SPH, while for the mesh-based Enzo two different formulations of Eulerian hydrodynamics are employed: the piecewise parabolic method (PPM) extended with a dual energy formulation for cosmology, and the artificial viscosity-based scheme used in the magnetohydrodynamics code ZEUS. In this paper we focus on a comparison of cosmological simulations that follow either only dark matter, or also a nonradiative (``adiabatic'') hydrodynamic gaseous component. We perform multiple simulations using both codes with varying spatial and mass resolution with identical initial conditions. The dark matter-only runs agree generally quite well provided Enzo is run with a comparatively fine root grid and a low overdensity threshold for mesh refinement, otherwise the abundance of low-mass halos is suppressed. This can be readily understood as a consequence of the hierarchical particle-mesh algorithm used by Enzo to compute gravitational forces, which tends to deliver lower force resolution than the tree-algorithm of GADGET at early times before any adaptive mesh refinement takes place. At comparable force resolution we find that the latter offers substantially better performance and lower memory consumption than the present gravity solver in Enzo. In simulations that include adiabatic gasdynamics we find general agreement in the distribution functions of temperature, entropy, and density for gas of moderate to high overdensity, as found inside dark matter halos. However, there are also some significant differences in

  7. SPH Simulation of Liquid Scattering from the Edge of a Rotary Atomizer

    Science.gov (United States)

    Izawa, Seiichiro; Ito, Takuya; Shigeta, Masaya; Fukunishi, Yu

    2013-11-01

    Three-dimensional incompressible SPH method is used to simulate the behavior of liquid scattering from the edge of a rotary atomizer. Rotary atomizers have been widely used for spraying, painting and coating, for instance, in the automobile industry. However, how the spray droplets are formed after leaving the edge of the rotary atomizer is not well understood, because the scale of the phenomenon is very small and the speed of rotation is very fast. The present computational result shows that while the liquid forms a film on the surface of the rotating disk of the atomizer, it quickly deforms into many thin columns after leaving the disk edge, and these columns soon break up into fine droplets which spread out in the radial direction. The size of droplets tends to become smaller with the increase in the disk rotating speed. The results show good agreement with the experimental observations.

  8. Composition dependency of the glass forming ability (GFA) in Mg-Ni-Si system by mechanical alloying

    International Nuclear Information System (INIS)

    Xie Haowen; Lin Jianguo; Li Yuncang; Hodgson, Peter D.; Wen Cuie

    2007-01-01

    The pure elemental powder mixtures with the compositions of Mg 65 Ni x Si 35-x (x = 10, 20, 25, 33 at.%) were subject to high-energy ball mill, and the structures of the mixtures at different intervals of milling were characterised by X-ray diffraction (XRD). The compositional dependency of the glass forming ability (GFA) in Mg-Ni-Si system was evaluated based on the experimental results and the theoretical calculation. The compositional dependency of GFA in Mg-Ni-Si system can be understood well by comparing the enthalpies of the crystalline and amorphous phases based on the Miedema's theory for the formation enthalpy of alloys. Increasing the Ni/Mg ratio and/or decreasing Si content can improve the amorphous formability. The calculation results might be of great help in optimising the composition with high GFA in Mg-Ni-Si system

  9. Application of numerical inverse method in calculation of composition-dependent interdiffusion coefficients in finite diffusion couples

    DEFF Research Database (Denmark)

    Liu, Yuanrong; Chen, Weimin; Zhong, Jing

    2017-01-01

    The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard...... sets of interdiffusion coefficients. After that, the numerical inverse method was then adopted in a ternary Al-Cu-Ni finite diffusion couple. Based on the measured composition profiles, the ternary interdiffusion coefficients along the entire diffusion path of the target ternary diffusion couple were...... obtained by using the numerical inverse approach. The comprehensive comparisons between the computations and the experiments indicate that the numerical inverse method is also applicable to high-throughput determination of the composition-dependent interdiffusion coefficients in finite diffusion couples....

  10. The composition dependence of the photochemical reactivity of strontium barium titanate

    Science.gov (United States)

    Bhardwaj, Abhilasha

    , relative band edge positions and pH of the solution that can influence the reactivity. However, these factors are not significant in determining the composition dependence of the photochemical reactivity of SrxBa 1-xTiO3. The comparison of the surfaces of SrxBa 1-xTiO3 samples imaged by AFM after reaction (with silver nitrate) also showed that the mode of reaction gradually changes from spatially selective reactivity for BaTiO3 to spatially uniform reactivity for SrTiO3. The spatially selective reactivity disappears completely when x in SrxBa1-xTiO3 is greater than or equal to 0.28. The mechanism of the photochemical reaction of methylene blue dye on SrxBa1-xTiO3 was also studied. It is found that the dye reacts by a mechanism similar to that of silver. The methylene blue dye and silver reduce on the surfaces of positively charged domains and the reduced reaction products remain at the reduction reaction site. Extensions of this research would be to experimentally determine the band edges and defect concentrations in SrxBa1-xTiO 3 to get a better understanding of their influence on photochemical reactivity. Since the long term goal of this research is to find a efficient particulate catalyst for photocatalysis of water, the next step in this research is to carry out the photocatalysis of water using SrxBa1-x TiO3 powders. The effect of catalyst particle size should also be analyzed.

  11. Synthesis of Aromatic Thiolate-Protected Gold Nanomolecules by Core Conversion: The Case of Au36(SPh-tBu)24.

    Science.gov (United States)

    Theivendran, Shevanuja; Dass, Amala

    2017-08-01

    Ultrasmall nanomolecules (<2 nm) such as Au 25 (SCH 2 CH 2 Ph) 18 , Au 38 (SCH 2 CH 2 Ph) 24 , and Au 144 (SCH 2 CH 2 Ph) 60 are well studied and can be prepared using established synthetic procedures. No such synthetic protocols that result in high yield products from commercially available starting materials exist for Au 36 (SPh-X) 24 . Here, we report a synthetic procedure for the large-scale synthesis of highly stable Au 36 (SPh-X) 24 with a yield of ∼42%. Au 36 (SPh-X) 24 was conveniently synthesized by using tert-butylbenzenethiol (HSPh-tBu, TBBT) as the ligand, giving a more stable product with better shelf life and higher yield than previously reported for making Au 36 (SPh) 24 from thiophenol (PhSH). The choice of thiol, solvent, and reaction conditions were modified for the optimization of the synthetic procedure. The purposes of this work are to (1) optimize the existing procedure to obtain stable product with better yield, (2) develop a scalable synthetic procedure, (3) demonstrate the superior stability of Au 36 (SPh-tBu) 24 when compared to Au 36 (SPh) 24 , and (4) demonstrate the reproducibility and robustness of the optimized synthetic procedure.

  12. Simulating non-Newtonian flows with the moving particle semi-implicit method with an SPH kernel

    International Nuclear Information System (INIS)

    Xiang, Hao; Chen, Bin

    2015-01-01

    The moving particle semi-implicit (MPS) method and smoothed particle hydrodynamics (SPH) are commonly used mesh-free particle methods for free surface flows. The MPS method has superiority in incompressible flow simulation and simple programing. However, the crude kernel function is not accurate enough for the discretization of the divergence of the shear stress tensor by the particle inconsistency when the MPS method is extended to non-Newtonian flows. This paper presents an improved MPS method with an SPH kernel to simulate non-Newtonian flows. To improve the consistency of the partial derivative, the SPH cubic spline kernel and the Taylor series expansion are combined with the MPS method. This approach is suitable for all non-Newtonian fluids that can be described with τ  = μ(|γ|) Δ (where τ is the shear stress tensor, μ is the viscosity, |γ| is the shear rate, and Δ is the strain tensor), e.g., the Casson and Cross fluids. Two examples are simulated including the Newtonian Poiseuille flow and container filling process of the Cross fluid. The results of Poiseuille flow are more accurate than the traditional MPS method, and different filling processes are obtained with good agreement with previous results, which verified the validation of the new algorithm. For the Cross fluid, the jet fracture length can be correlated with We 0.28 Fr 0.78 (We is the Weber number, Fr is the Froude number). (paper)

  13. Insulin-like growth factor binding protein-3 induces angiogenesis through IGF-I- and SphK1-dependent mechanisms.

    Science.gov (United States)

    Granata, R; Trovato, L; Lupia, E; Sala, G; Settanni, F; Camussi, G; Ghidoni, R; Ghigo, E

    2007-04-01

    Angiogenesis is critical for development and repair, and is a prominent feature of many pathological conditions. Based on evidence that insulin-like growth factor binding protein (IGFBP)-3 enhances cell motility and activates sphingosine kinase (SphK) in human endothelial cells, we have investigated whether IGFBP-3 plays a role in promoting angiogenesis. IGFBP-3 potently induced network formation by human endothelial cells on Matrigel. Moreover, it up-regulated proangiogenic genes, such as vascular endothelial growth factor (VEGF) and matrix metalloproteinases (MMP)-2 and -9. IGFBP-3 even induced membrane-type 1 MMP (MT1-MMP), which regulates MMP-2 activation. Decreasing SphK1 expression by small interfering RNA (siRNA), blocked IGFBP-3-induced network formation and inhibited VEGF, MT1-MMP but not IGF-I up-regulation. IGF-I activated SphK, leading to sphingosine-1-phosphate (S1P) formation. The IGF-I effect on SphK activity was blocked by specific inhibitors of IGF-IR, PI3K/Akt and ERK1/2 phosphorylation. The disruption of IGF-I signaling prevented the IGFBP-3 effect on tube formation, SphK activity and VEGF release. Blocking ERK1/2 signaling caused the loss of SphK activation and VEGF and IGF-I up-regulation. Finally, IGFBP-3 dose-dependently stimulated neovessel formation into subcutaneous implants of Matrigel in vivo. Thus, IGFBP-3 positively regulates angiogenesis through involvement of IGF-IR signaling and subsequent SphK/S1P activation.

  14. EVOLUTION OF THE MASS-METALLICITY RELATIONS IN PASSIVE AND STAR-FORMING GALAXIES FROM SPH-COSMOLOGICAL SIMULATIONS

    International Nuclear Information System (INIS)

    Romeo Velonà, A. D.; Gavignaud, I.; Meza, A.; Sommer-Larsen, J.; Napolitano, N. R.; Antonuccio-Delogu, V.; Cielo, S.

    2013-01-01

    We present results from SPH-cosmological simulations, including self-consistent modeling of supernova feedback and chemical evolution, of galaxies belonging to two clusters and 12 groups. We reproduce the mass-metallicity (ZM) relation of galaxies classified in two samples according to their star-forming (SF) activity, as parameterized by their specific star formation rate (sSFR), across a redshift range up to z = 2. The overall ZM relation for the composite population evolves according to a redshift-dependent quadratic functional form that is consistent with other empirical estimates, provided that the highest mass bin of the brightest central galaxies is excluded. Its slope shows irrelevant evolution in the passive sample, being steeper in groups than in clusters. However, the subsample of high-mass passive galaxies only is characterized by a steep increase of the slope with redshift, from which it can be inferred that the bulk of the slope evolution of the ZM relation is driven by the more massive passive objects. The scatter of the passive sample is dominated by low-mass galaxies at all redshifts and keeps constant over cosmic times. The mean metallicity is highest in cluster cores and lowest in normal groups, following the same environmental sequence as that previously found in the red sequence building. The ZM relation for the SF sample reveals an increasing scatter with redshift, indicating that it is still being built at early epochs. The SF galaxies make up a tight sequence in the SFR-M * plane at high redshift, whose scatter increases with time alongside the consolidation of the passive sequence. We also confirm the anti-correlation between sSFR and stellar mass, pointing at a key role of the former in determining the galaxy downsizing, as the most significant means of diagnostics of the star formation efficiency. Likewise, an anti-correlation between sSFR and metallicity can be established for the SF galaxies, while on the contrary more active galaxies

  15. Reaction rate and composition dependence of the stability of thermonuclear burning on accreting neutron stars

    International Nuclear Information System (INIS)

    Keek, L.; Cyburt, R. H.; Heger, A.

    2014-01-01

    The stability of thermonuclear burning of hydrogen and helium accreted onto neutron stars is strongly dependent on the mass accretion rate. The burning behavior is observed to change from Type I X-ray bursts to stable burning, with oscillatory burning occurring at the transition. Simulations predict the transition at a 10 times higher mass accretion rate than observed. Using numerical models we investigate how the transition depends on the hydrogen, helium, and CNO mass fractions of the accreted material, as well as on the nuclear reaction rates of 3α and the hot-CNO breakout reactions 15 O(α, γ) 19 Ne and 18 Ne(α, p) 21 Na. For a lower hydrogen content the transition is at higher accretion rates. Furthermore, most experimentally allowed reaction rate variations change the transition accretion rate by at most 10%. A factor 10 decrease of the 15 O(α, γ) 19 Ne rate, however, produces an increase of the transition accretion rate of 35%. None of our models reproduce the transition at the observed rate, and depending on the true 15 O(α, γ) 19 Ne reaction rate, the actual discrepancy may be substantially larger. We find that the width of the interval of accretion rates with marginally stable burning depends strongly on both composition and reaction rates. Furthermore, close to the stability transition, our models predict that X-ray bursts have extended tails where freshly accreted fuel prolongs nuclear burning.

  16. Thermal transport in binary colloidal glasses: Composition dependence and percolation assessment

    Science.gov (United States)

    Ruckdeschel, Pia; Philipp, Alexandra; Kopera, Bernd A. F.; Bitterlich, Flora; Dulle, Martin; Pech-May, Nelson W.; Retsch, Markus

    2018-02-01

    The combination of various types of materials is often used to create superior composites that outperform the pure phase components. For any rational design, the thermal conductivity of the composite as a function of the volume fraction of the filler component needs to be known. When approaching the nanoscale, the homogeneous mixture of various components poses an additional challenge. Here, we investigate binary nanocomposite materials based on polymer latex beads and hollow silica nanoparticles. These form randomly mixed colloidal glasses on a sub-μ m scale. We focus on the heat transport properties through such binary assembly structures. The thermal conductivity can be well described by the effective medium theory. However, film formation of the soft polymer component leads to phase segregation and a mismatch between existing mixing models. We confirm our experimental data by finite element modeling. This additionally allowed us to assess the onset of thermal transport percolation in such random particulate structures. Our study contributes to a better understanding of thermal transport through heterostructured particulate assemblies.

  17. In rich In{sub 1-x}Ga{sub x}N: Composition dependence of longitudinal optical phonon energy

    Energy Technology Data Exchange (ETDEWEB)

    Tiras, E. [School of Computer Science and Electronic Engineering, University of Essex, Wivenhoe Park, CO4 3SQ Colchester (United Kingdom); Faculty of Science, Department of Physics, Anadolu University, Yunus Emre Campus, 26470 Eskisehir (Turkey); Gunes, M.; Balkan, N. [School of Computer Science and Electronic Engineering, University of Essex, Wivenhoe Park, CO4 3SQ Colchester (United Kingdom); Schaff, W.J. [Department of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14853 (United States)

    2010-01-15

    The composition dependence of longitudinal optical (LO) phonon energies in undoped and Mg-doped In{sub 1-x}Ga{sub x}N samples are determined using Raman spectroscopy in the range of Ga fraction from x = 0 to x = 56%. The LO phonon energy varies from 73 meV for InN to 83 meV for In{sub 1-x}Ga{sub x}N with 56% Ga. Independent measurements of temperature dependent mobility at high temperatures where LO phonon scattering dominates the transport were also used to obtain the LO phonon energy for x = 0 and x = 20%. The results obtained from the two independent techniques compare extremely well. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  18. The exploration of stability of two-dimensional nanocrystalline metallic composites depending on temperature

    International Nuclear Information System (INIS)

    Poletayev, G.M.; Starostenkov, M.D.; Popova, G.V.; Skakov, M.K.

    2004-01-01

    Full text: In nanocrystalline compositional materials the borders of phase separation play special role. The detection of stability of the borders of phase separation depending on external conditions, such pressure, temperature of alloying is the important task in the case of nanocrystalline materials. In the current paper the stability of two-dimensional nanocrystal, composite on the basis of Ni-Al system, depending on the structure of compositional material and vacancy availability is studied. Atomic packing in two-dimensional crystal corresponds to the plane (111) of fee crystal structure, or the plane (111) of superstructure L1 2 of intermetallide system Ni-Al. The interaction between atoms is set by pair potential functions of Morse, that consider interatomic bonding in the first six coordinate spheres. The calculated block was expressed in atomic packing in the cell 40x40. Beyond the bounds of the calculated block crystal is repeated with the help of periodical border conditions. Computer modeling is performed according to the method of molecular dynamics, when speeds of atom dislocations depending on temperature are set in accidental way, according to Boltzmann allocation. Two-dimensional material was represented by different packs of phases, clean Ni, Al and intermetallic superstructure NiAl in accordance with concentrations, structures and forms. It was understood that when the concentration in composite of phase of clean Al increases, or when the number of Al atoms in intermetallide rises, the initial temperature of thermo activated diffusing destruction of interphase borders turns out to be very low. On the other hand, when the part of clean nickel increases or when the concentration of clean Ni atoms in the structure (L1 2 ) rises, diffusion stability of interphase borders is observes right up to high temperatures. According to the results, basic diffusion processes take place right on interphase borders

  19. Numerical simulation of SPH for dynamics effect of multilayer discontinuous structure irradiated by impulse X-ray

    International Nuclear Information System (INIS)

    Xu Binbin; Tang Wenhui; Ran Xianwen; Xu Zhihong; Chen Hua

    2012-01-01

    When high energy X-ray irradiates material, it will cause energy deposition in materials, and generates thermal shock wave. At present, finite difference method is used to the numerical simulation of thermal shock usually, but if considering the inter-space between the multilayer materials, the difference method will be more difficult. This paper used the SPH method to simulate multilayer discontinuous structure irradiated by high energy X-ray, and the results show that the gap between the materials of each layer has a certain influence on the thermal shock wave intensity, but doesn't have any affect to gasification impulse. (authors)

  20. SphK1 inhibitor II (SKI-II) inhibits acute myelogenous leukemia cell growth in vitro and in vivo

    International Nuclear Information System (INIS)

    Yang, Li; Weng, Wei; Sun, Zhi-Xin; Fu, Xian-Jie; Ma, Jun; Zhuang, Wen-Fang

    2015-01-01

    Previous studies have identified sphingosine kinase 1 (SphK1) as a potential drug target for treatment of acute myeloid leukemia (AML). In the current study, we investigated the potential anti-leukemic activity of a novel and specific SphK1 inhibitor, SKI-II. We demonstrated that SKI-II inhibited growth and survival of human AML cell lines (HL-60 and U937 cells). SKI-II was more efficient than two known SphK1 inhibitors SK1-I and FTY720 in inhibiting AML cells. Meanwhile, it induced dramatic apoptosis in above AML cells, and the cytotoxicity by SKI-II was almost reversed by the general caspase inhibitor z-VAD-fmk. SKI-II treatment inhibited SphK1 activation, and concomitantly increased level of sphingosine-1-phosphate (S1P) precursor ceramide in AML cells. Conversely, exogenously-added S1P protected against SKI-II-induced cytotoxicity, while cell permeable short-chain ceramide (C6) aggravated SKI-II's lethality against AML cells. Notably, SKI-II induced potent apoptotic death in primary human AML cells, but was generally safe to the human peripheral blood mononuclear cells (PBMCs) isolated from healthy donors. In vivo, SKI-II administration suppressed growth of U937 leukemic xenograft tumors in severe combined immunodeficient (SCID) mice. These results suggest that SKI-II might be further investigated as a promising anti-AML agent. - Highlights: • SKI-II inhibits proliferation and survival of primary and transformed AML cells. • SKI-II induces apoptotic death of AML cells, but is safe to normal PBMCs. • SKI-II is more efficient than two known SphK1 inhibitors in inhibiting AML cells. • SKI-II inhibits SphK1 activity, while increasing ceramide production in AML cells. • SKI-II dose-dependently inhibits U937 xenograft growth in SCID mice

  1. SphK1 inhibitor II (SKI-II) inhibits acute myelogenous leukemia cell growth in vitro and in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li; Weng, Wei; Sun, Zhi-Xin; Fu, Xian-Jie; Ma, Jun, E-mail: majuntongrensh1@126.com; Zhuang, Wen-Fang, E-mail: wenfangzhuangmd@163.com

    2015-05-15

    Previous studies have identified sphingosine kinase 1 (SphK1) as a potential drug target for treatment of acute myeloid leukemia (AML). In the current study, we investigated the potential anti-leukemic activity of a novel and specific SphK1 inhibitor, SKI-II. We demonstrated that SKI-II inhibited growth and survival of human AML cell lines (HL-60 and U937 cells). SKI-II was more efficient than two known SphK1 inhibitors SK1-I and FTY720 in inhibiting AML cells. Meanwhile, it induced dramatic apoptosis in above AML cells, and the cytotoxicity by SKI-II was almost reversed by the general caspase inhibitor z-VAD-fmk. SKI-II treatment inhibited SphK1 activation, and concomitantly increased level of sphingosine-1-phosphate (S1P) precursor ceramide in AML cells. Conversely, exogenously-added S1P protected against SKI-II-induced cytotoxicity, while cell permeable short-chain ceramide (C6) aggravated SKI-II's lethality against AML cells. Notably, SKI-II induced potent apoptotic death in primary human AML cells, but was generally safe to the human peripheral blood mononuclear cells (PBMCs) isolated from healthy donors. In vivo, SKI-II administration suppressed growth of U937 leukemic xenograft tumors in severe combined immunodeficient (SCID) mice. These results suggest that SKI-II might be further investigated as a promising anti-AML agent. - Highlights: • SKI-II inhibits proliferation and survival of primary and transformed AML cells. • SKI-II induces apoptotic death of AML cells, but is safe to normal PBMCs. • SKI-II is more efficient than two known SphK1 inhibitors in inhibiting AML cells. • SKI-II inhibits SphK1 activity, while increasing ceramide production in AML cells. • SKI-II dose-dependently inhibits U937 xenograft growth in SCID mice.

  2. The formation of Dwarf Spheroidal galaxies by the dissolving star cluster model.

    Science.gov (United States)

    Alarcon, Alex; Theory and Star Formation Group

    2018-01-01

    Dwarf spheroidal (dSph) galaxies are regarded as key object in the formation of larger galaxies and are believed to be the most dark matter dominated systems known. There are several model that attempt to explain their formation, but they have problems to model the formation of isolated dSph. Here we will explain a possible formation scenario in which star clusters form in the dark matter halo of a dSph. these cluster suffer from low star formation efficiency and dissolve while orbiting inside the halo. Thereby they build the faint luminous components that we observe in dSph galaxies. Here we will show the main results of this simulations and how they would be corroborated using observational data.

  3. Compositional Dependence of Solubility/Retention of Molybdenum Oxides in Aluminoborosilicate-Based Model Nuclear Waste Glasses.

    Science.gov (United States)

    Brehault, Antoine; Patil, Deepak; Kamat, Hrishikesh; Youngman, Randall E; Thirion, Lynn M; Mauro, John C; Corkhill, Claire L; McCloy, John S; Goel, Ashutosh

    2018-02-08

    Molybdenum oxides are an integral component of the high-level waste streams being generated from the nuclear reactors in several countries. Although borosilicate glass has been chosen as the baseline waste form by most of the countries to immobilize these waste streams, molybdate oxyanions (MoO 4 2- ) exhibit very low solubility (∼1 mol %) in these glass matrices. In the past three to four decades, several studies describing the compositional and structural dependence of molybdate anions in borosilicate and aluminoborosilicate glasses have been reported in the literature, providing a basis for our understanding of fundamental science that governs the solubility and retention of these species in the nuclear waste glasses. However, there are still several open questions that need to be answered to gain an in-depth understanding of the mechanisms that control the solubility and retention of these oxyanions in glassy waste forms. This article is focused on finding answers to two such questions: (1) What are the solubility and retention limits of MoO 3 in aluminoborosilicate glasses as a function of chemical composition? (2) Why is there a considerable increase in the solubility of MoO 3 with incorporation of rare-earth oxides (for example, Nd 2 O 3 ) in aluminoborosilicate glasses? Accordingly, three different series of aluminoborosilicate glasses (compositional complexity being added in a tiered approach) with varying MoO 3 concentrations have been synthesized and characterized for their ability to accommodate molybdate ions in their structure (solubility) and as a glass-ceramic (retention). The contradictory viewpoints (between different research groups) pertaining to the impact of rare-earth cations on the structure of aluminoborosilicate glasses are discussed, and their implications on the solubility of MoO 3 in these glasses are evaluated. A novel hypothesis explaining the mechanism governing the solubility of MoO 3 in rare-earth containing aluminoborosilicate glasses has been proposed.

  4. Composition-dependent photoluminescence properties of CuInS_2/ZnS core/shell quantum dots

    International Nuclear Information System (INIS)

    Hua, Jie; Du, Yuwei; Wei, Qi; Yuan, Xi; Wang, Jin; Zhao, Jialong; Li, Haibo

    2016-01-01

    CuInS_2/ZnS (CIS/ZnS) core/shell quantum dots (QDs) with various Cu/In ratios were synthesized using the hot-injection method, and their photoluminescence (PL) properties were investigated by measuring steady-state and time-resolved PL spectroscopy. The emission peak of the CIS/ZnS QDs were tuned from 680 to 580 nm by decreasing the Cu/In precursor ratio from 1/1 to 1/9. As the Cu/In ratio decreases, the PL lifetimes and PL quantum yields (QYs) of CIS/ZnS core/shell QDs increased firstly and then decreased. Two dominant radiative recombination processes were postulated to analyze composition-dependent PL properties, including the recombination from a quantized conduction band to deep defects state and donor-acceptor pair (DAP) recombination. The decrease of PL efficiency resulted from high density defects and traps, which formed at the interface between CIS core and ZnS shell due to the large off-stoichiometry composition. The PL intensity and peak energy for CIS/ZnS core/shell QDs as a function of temperature were also provided. The thermal quenching further confirmed that the PL emission of CIS/ZnS QDs did not come from the recombination of excitons but from the recombination of many kinds of intrinsic defects inside the QDs as emission centers.

  5. Composition-dependent properties and phase stability of Fe-Pd ferromagnetic shape memory alloys: A first-principles study

    Science.gov (United States)

    Li, Chun-Mei; Hu, Yan-Fei

    2017-12-01

    The composition-dependent properties and their correlation with the phase stability of Fe75+xPd25-x (- 10.0 ≤x ≤10.0 ) alloys are systematically investigated by using first-principles exact muffin-tin orbitals (EMTO)-coherent potential approximation (CPA) calculations. It is shown that the martensitic transformation (MT) from L 12 to body-centered-tetragonal (bct) occurs in the ordered alloys with about -5.0 ≤x ≤10.0 . In both the L 12 and bct phases, the evaluated a and c/a agree well with the available experimental data; the average magnetic moment per atom increases whereas the local magnetic moments of Fe atoms, dependent on both their positions and the structure of the alloy, decrease with increasing x. The tetragonal shear elastic constant of the L 12 phase ( C ' ) decreases whereas that of the bct phase (Cs) increases with x. The tetragonality of the martensite ( |1 -c /a | ) increases whereas its energy relative to the austenite with a negative value decreases with Fe addition. All these effects account for the increase of MT temperature (TM) with x. The MT from L 12 to bct is finally confirmed originating from the splitting of Fe 3d Eg and T2 g bands upon tetragonal distortion due to the Jahn-Teller effect.

  6. Effects of inhibition of serine palmitoyltransferase (SPT and sphingosine kinase 1 (SphK1 on palmitate induced insulin resistance in L6 myotubes.

    Directory of Open Access Journals (Sweden)

    Agnieszka Mikłosz

    Full Text Available BACKGROUND: The objective of this study was to examine the effects of short (2 h and prolonged (18 h inhibition of serine palmitoyltransferase (SPT and sphingosine kinase 1 (SphK1 on palmitate (PA induced insulin resistance in L6 myotubes. METHODS: L6 myotubes were treated simultaneously with either PA and myriocin (SPT inhibitor or PA and Ski II (SphK1inhibitor for different time periods (2 h and 18 h. Insulin stimulated glucose uptake was measured using radioactive isotope. Expression of insulin signaling proteins was determined using Western blot analyses. Intracellular sphingolipids content [sphinganine (SFA, ceramide (CER, sphingosine (SFO, sphingosine-1-phosphate (S1P] were estimated by HPLC. RESULTS: Our results revealed that both short and prolonged time of inhibition of SPT by myriocin was sufficient to prevent ceramide accumulation and simultaneously reverse palmitate induced inhibition of insulin-stimulated glucose transport. In contrast, prolonged inhibition of SphK1 intensified the effect of PA on insulin-stimulated glucose uptake and attenuated further the activity of insulin signaling proteins (pGSK3β/GSK3β ratio in L6 myotubes. These effects were related to the accumulation of sphingosine in palmitate treated myotubes. CONCLUSION: Myriocin is more effective in restoration of palmitate induced insulin resistance in L6 myocytes, despite of the time of SPT inhibition, comparing to SKII (a specific SphK1 inhibitor. Observed changes in insulin signaling proteins were related to the content of specific sphingolipids, namely to the reduction of ceramide. Interestingly, inactivation of SphK1 augmented the effect of PA induced insulin resistance in L6 myotubes, which was associated with further inhibition of insulin stimulated PKB and GSK3β phosphorylation, glucose uptake and the accumulation of sphingosine.

  7. Osmotic regulation of expression of two extracellular matrix-binding proteins and a haemolysin of Leptospira interrogans: differential effects on LigA and Sph2 extracellular release.

    Science.gov (United States)

    Matsunaga, James; Medeiros, Marco A; Sanchez, Yolanda; Werneid, Kristian F; Ko, Albert I

    2007-10-01

    The life cycle of the pathogen Leptospira interrogans involves stages outside and inside the host. Entry of L. interrogans from moist environments into the host is likely to be accompanied by the induction of genes encoding virulence determinants and the concomitant repression of genes encoding products required for survival outside of the host. The expression of the adhesin LigA, the haemolysin Sph2 (Lk73.5) and the outer-membrane lipoprotein LipL36 of pathogenic Leptospira species have been reported to be regulated by mammalian host signals. A previous study demonstrated that raising the osmolarity of the leptospiral growth medium to physiological levels encountered in the host by addition of various salts enhanced the levels of cell-associated LigA and LigB and extracellular LigA. In this study, we systematically examined the effects of osmotic upshift with ionic and non-ionic solutes on expression of the known mammalian host-regulated leptospiral genes. The levels of cell-associated LigA, LigB and Sph2 increased at physiological osmolarity, whereas LipL36 levels decreased, corresponding to changes in specific transcript levels. These changes in expression occurred irrespective of whether sodium chloride or sucrose was used as the solute. The increase of cellular LigA, LigB and Sph2 protein levels occurred within hours of adding sodium chloride. Extracellular Sph2 levels increased when either sodium chloride or sucrose was added to achieve physiological osmolarity. In contrast, enhanced levels of extracellular LigA were observed only with an increase in ionic strength. These results indicate that the mechanisms for release of LigA and Sph2 differ during host infection. Thus, osmolarity not only affects leptospiral gene expression by affecting transcript levels of putative virulence determinants but also affects the release of such proteins into the surroundings.

  8. Draft Genome Sequence of Sphingomonas sp. Strain Sph1(2015), Isolated from a Fouled Membrane Filter Used To Produce Drinking Water.

    Science.gov (United States)

    de Vries, Hendrik J; Marshall, Ian P G; Schreiber, Lars; Plugge, Caroline M

    2017-06-15

    We report here the high-quality draft genome sequence of Sphingomonas sp. strain Sph1(2015), isolated from a fouled reverse osmosis membrane used for the production of high-quality drinking water. The draft sequence provides insights into the modus operandi of this strain to form biofilms on membrane surfaces. This knowledge offers tools to develop novel antifouling strategies. Copyright © 2017 de Vries et al.

  9. Transformation of Au144(SCH2CH2Ph)60 to Au133(SPh-tBu)52 Nanomolecules: Theoretical and Experimental Study.

    Science.gov (United States)

    Nimmala, Praneeth Reddy; Theivendran, Shevanuja; Barcaro, Giovanni; Sementa, Luca; Kumara, Chanaka; Jupally, Vijay Reddy; Apra, Edoardo; Stener, Mauro; Fortunelli, Alessandro; Dass, Amala

    2015-06-04

    Ultrastable gold nanomolecule Au144(SCH2CH2Ph)60 upon etching with excess tert-butylbenzenethiol undergoes a core-size conversion and compositional change to form an entirely new core of Au133(SPh-tBu)52. This conversion was studied using high-resolution electrospray mass spectrometry which shows that the core size conversion is initiated after 22 ligand exchanges, suggesting a relatively high stability of the Au144(SCH2CH2Ph)38(SPh-tBu)22 intermediate. The Au144 → Au133 core size conversion is surprisingly different from the Au144 → Au99 core conversion reported in the case of thiophenol, -SPh. Theoretical analysis and ab initio molecular dynamics simulations show that rigid p-tBu groups play a crucial role by reducing the cluster structural freedom, and protecting the cluster from adsorption of exogenous and reactive species, thus rationalizing the kinetic factors that stabilize the Au133 core size. This 144-atom to 133-atom nanomolecule's compositional change is reflected in optical spectroscopy and electrochemistry.

  10. Synthesis, structure and DFT conformation analysis of CpNiX(NHC) and NiX2(NHC)2 (X = SPh or Br) complexes

    Science.gov (United States)

    Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé

    2017-11-01

    The synthesis, density functional theory (DFT) conformational study and structure analysis of novel two-legged piano stool Ni N-heterocyclic carbene (NHC) complexes and square planar Ni bis-N-heterocyclic carbene complexes, all containing either bromido- or thiophenolato ligands, are described. [CpNi(SPh)(NHC)] complexes were obtained from the neutral 18-electron [CpNiBr(NHC)] complexes by substitution of a bromido ligand with SPh, using NEt3 as a base to abstract the proton of HSPh. The 16-electron biscarbene complexes [Ni(SPh)2{NHC}2] were isolated when an excess of HSPh was added to the reaction mixture. Biscarbene complexes of the type [NiBr2(NHC)2] were obtained in the reaction of NiCp2 with a slight excess of the specific imidazolium bromide salt. The molecular and electronic structures of the mono- and bis-N-heterocyclic carbene complexes have been analysed using single crystal diffraction and density functional theory (DFT) calculations, to give insight into their structural properties.

  11. A model of mudflow propagation downstream from the Grohovo landslide near the city of Rijeka (Croatia)

    Science.gov (United States)

    Žic, E.; Arbanas, Ž.; Bićanić, N.; Ožanić, N.

    2015-02-01

    Mudflows regularly generate significant human and property losses. Analyzing mudflows is important to assess the risks and to delimit vulnerable areas where mitigation measures are required. The smoothed-particle hydrodynamics (SPH) model adopted here considers, in two phases, a granular skeleton with voids filled with either water or mud. The SPH depth-integrated numerical model (Pastor et al., 2009a) used for the present simulations is a 2-D model capable of predicting the runout distance, flow velocity, deposition pattern and the final volume of mudflows. It is based on mathematical and rheological models. In this study, the main characteristics of mudflow processes that have emerged in the past (1908) in the area downstream of the Grohovo landslide are examined, and the more relevant parameters and attributes describing the mudflow are presented. Principal equations that form the basis of the SPH depth-integrated model are reviewed and applied to analyze the Grohovo landslide and the propagation of the mudflow wave downstream of the landslide. Based on the SPH method, the runout distance, quantities of the deposited materials and the velocity of mudflow progression which occurred in the past at the observed area are analyzed and qualitatively compared to the recorded consequences of the actual event. Within the SPH simulation, the Newtonian rheological model in the turbulent flow regime and the Bingham rheological model were adopted and a comparison was made of the application of the Egashira and Hungr erosion law.

  12. Understanding the Composition Dependence of the Fragility of AgI-Ag2O-MxOy Glassy Systems

    International Nuclear Information System (INIS)

    Aniya, M

    2011-01-01

    It has been reported that the fragility in the AgI-Ag 2 O-M x O y (M = B, Ge, P, Mo) system is determined by Ag 2 O-M x O y and does not depend on the amount of AgI. This is an interesting result and provides a hint to understand the nature of the glassy state of these materials. However, the origin of such behavior has not been sufficiently discussed. In the present report a model for the above behavior is presented. According to the model, the behavior arises from the solid like nature of the network formed by Ag 2 O-M x O y and the liquid like AgI which flow between the networks. The model is consistent with the structural model of superionic glasses proposed previously.

  13. Evolution of Occupant Survivability Simulation Framework Using FEM-SPH Coupling

    Science.gov (United States)

    2011-08-10

    Conference (Oral only). • [5] K. Williams, et. al, “Validation of a Loading Model for Simulating Blast Mine Effects on Armoured Vehicles”, 7th...necessarily state or reflect those of the United States Government or the Department of the Army (DoA), and shall not be used for advertising or product endorsement purposes. 24

  14. Neutrinos in non-linear structure formation — a simple SPH approach

    DEFF Research Database (Denmark)

    Hannestad, Steen; Haugbølle, Troels; Schultz, Christian

    2012-01-01

    fluid, and assume a relation between the sound speed and velocity dispersion of the neutrinos. Although the method fails to accurately model the true neutrino power spectrum, it is able to calculate the total matter power spectrum to the same accuracy as more complex hybrid neutrino methods, except...

  15. Oxidative addition of diphenyl disulfide across a Ta=Ta bond. Preparation and characterization of [TaCl3(Me2S)]2(μ-SPh)2

    International Nuclear Information System (INIS)

    Campbell, G.C.; Canich, J.A.M; Cotton, F.A.; Duraj, S.A.; Haw, J.F.

    1986-01-01

    The tantalum complex (SMe 2 )Cl 2 Ta(μ-Cl) 2 (μ-SMe 2 )TaCl 2 (SMe 2 ), possessing a sigma 2 π 2 Ta=Ta double bond, reacts readily with PhSSPh to give (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 2 (SMe 2 ). In this reaction, the starting material loses the bridging SMe 2 ligand and two chloride bridges are broken while only two new SPh bridges are formed in the final product. This oxidative-addition reaction of the S-S single bond to the Ta=Ta double bond converts the face-sharing bioctahedron structure of the starting compound to an edge-sharing bioctahedron structure in the final dimer, with concomitant change of the oxidation state of tantalum from III to IV. The product is the first example of a d 1 -d 1 ditantalum thiolate-bridged dimer. Important structural data for (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 3 (SMe 2 ), which has an inversion center, are determined. The new compound crystallizes in the monoclinic space group C2/c with a = 17.934 (5) A, b = 12.445 (4) A, c = 11.705 (4) A, β = 92.50 (3) 0 , V = 2610 (2) A 3 , and Z = 4. Solid-state 13 C NMR spectroscopy with cross polarization and magic-angle spinning (CP/MAS) at 28 and -103 0 C provides evidence that this compound is diamagnetic. 12 references, 3 figures, 4 tables

  16. A simple way to improve AGN feedback prescription in SPH simulations

    Science.gov (United States)

    Zubovas, Kastytis; Bourne, Martin A.; Nayakshin, Sergei

    2016-03-01

    Active galactic nuclei (AGN) feedback is an important ingredient in galaxy evolution, however its treatment in numerical simulations is necessarily approximate, requiring subgrid prescriptions due to the dynamical range involved in the calculations. We present a suite of smoothed particle hydrodynamics simulations designed to showcase the importance of the choice of a particular subgrid prescription for AGN feedback. We concentrate on two approaches to treating wide-angle AGN outflows: thermal feedback, where thermal and kinetic energy is injected into the gas surrounding the supermassive black hole (SMBH) particle, and virtual particle feedback, where energy is carried by tracer particles radially away from the AGN. We show that the latter model produces a far more complex structure around the SMBH, which we argue is a more physically correct outcome. We suggest a simple improvement to the thermal feedback model - injecting the energy into a cone, rather than spherically symmetrically - and show that this markedly improves the agreement between the two prescriptions, without requiring any noticeable increase in the computational cost of the simulation.

  17. Improved Element Erosion Function for Concrete-Like Materials with the SPH Method

    Directory of Open Access Journals (Sweden)

    Jiří Kala

    2016-01-01

    Full Text Available The subject of the paper is a description of a simple test from the field of terminal ballistics and the handling of issues arising during its simulation using the numerical techniques of the finite element method. With regard to the possible excessive reshaping of the finite element mesh there is a danger that problems will arise such as the locking of elements or the appearance of negative volumes. It is often necessary to introduce numerical extensions so that the simulations can be carried out at all. When examining local damage to structures, such as the penetration of the outer shell or its perforation, it is almost essential to introduce the numerical erosion of elements into the simulations. However, when using numerical erosion, the dissipation of matter and energy from the computational model occurs in the mathematical background to the calculation. It is a phenomenon which can reveal itself in the final result when a discrepancy appears between the simulations and the experiments. This issue can be solved by transforming the eroded elements into smoothed particle hydrodynamics particles. These newly created particles can then assume the characteristics of the original elements and preserve the matter and energy of the numerical model.

  18. Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.

    Science.gov (United States)

    Suturina, Elizaveta A; Nehrkorn, Joscha; Zadrozny, Joseph M; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R; Neese, Frank

    2017-03-06

    The magnetic properties of pseudotetrahedral Co(II) complexes spawned intense interest after (PPh 4 ) 2 [Co(SPh) 4 ] was shown to be the first mononuclear transition-metal complex displaying slow relaxation of the magnetization in the absence of a direct current magnetic field. However, there are differing reports on its fundamental magnetic spin Hamiltonian (SH) parameters, which arise from inherent experimental challenges in detecting large zero-field splittings. There are also remarkable changes in the SH parameters of [Co(SPh) 4 ] 2- upon structural variations, depending on the counterion and crystallization conditions. In this work, four complementary experimental techniques are utilized to unambiguously determine the SH parameters for two different salts of [Co(SPh) 4 ] 2- : (PPh 4 ) 2 [Co(SPh) 4 ] (1) and (NEt 4 ) 2 [Co(SPh) 4 ] (2). The characterization methods employed include multifield SQUID magnetometry, high-field/high-frequency electron paramagnetic resonance (HF-EPR), variable-field variable-temperature magnetic circular dichroism (VTVH-MCD), and frequency domain Fourier transform THz-EPR (FD-FT THz-EPR). Notably, the paramagnetic Co(II) complex [Co(SPh) 4 ] 2- shows strong axial magnetic anisotropy in 1, with D = -55(1) cm -1 and E/D = 0.00(3), but rhombic anisotropy is seen for 2, with D = +11(1) cm -1 and E/D = 0.18(3). Multireference ab initio CASSCF/NEVPT2 calculations enable interpretation of the remarkable variation of D and its dependence on the electronic structure and geometry.

  19. Robust boundary treatment for open-channel flows in divergence-free incompressible SPH

    Science.gov (United States)

    Pahar, Gourabananda; Dhar, Anirban

    2017-03-01

    A robust Incompressible Smoothed Particle Hydrodynamics (ISPH) framework is developed to simulate specified inflow and outflow boundary conditions for open-channel flow. Being purely divergence-free, the framework offers smoothed and structured pressure distribution. An implicit treatment of Pressure Poison Equation and Dirichlet boundary condition is applied on free-surface to minimize error in velocity-divergence. Beyond inflow and outflow threshold, multiple layers of dummy particles are created according to specified boundary condition. Inflow boundary acts as a soluble wave-maker. Fluid particles beyond outflow threshold are removed and replaced with dummy particles with specified boundary velocity. The framework is validated against different cases of open channel flow with different boundary conditions. The model can efficiently capture flow evolution and vortex generation for random geometry and variable boundary conditions.

  20. Temperature and compositional dependence of solid-liquid interfacial energy: application of the Cahn-Hilliard theory

    International Nuclear Information System (INIS)

    Shimizu, I.; Takei, Y.

    2005-01-01

    A simple thermodynamic method to estimate the solid-liquid interfacial energy (or interfacial tension) is proposed, based on the Cahn-Hilliard theory. In the model, the liquid is treated as a regular solution, and the interfacial layers are assumed to have liquid-like thermodynamic properties. In eutectic systems, interfacial adsorption occurs within a few atomic layers, and interfacial energy monotonously increases with decreasing concentration of the solid species in the liquid phase. If non-ideal atomic interaction is strong and the liquid immiscibility region appears in the phase diagrams (this is the case of monotectic systems), the interfacial thickness drastically increases and the interfacial energy is reduced around the immiscibility gap

  1. Protein hydrolysate from canned sardine and brewing by-products improves TNF-α-induced inflammation in an intestinal-endothelial co-culture cell model.

    Science.gov (United States)

    Vieira, Elsa F; Van Camp, John; Ferreira, Isabel M P L V O; Grootaert, Charlotte

    2017-07-17

    The anti-inflammatory activity of sardine protein hydrolysates (SPH) obtained by hydrolysis with proteases from brewing yeast surplus was ascertained. For this purpose, a digested and desalted SPH fraction with molecular weight lower than 10 kDa was investigated using an endothelial cell line (EA.hy926) as such and in a co-culture model with an intestinal cell line (Caco-2). Effects of SPH <10 kDa on nitric oxide (NO) production, reactive oxygen species (ROS) inhibition and secretion of monocyte chemoattractant protein 1 (MCP-1), vascular endothelial growth factor (VEGF), chemokine IL-8 (IL-8) and intercellular adhesion molecule-1 (ICAM-1) were evaluated in TNF-α-treated and untreated cells. Upon TNF-α treatment, levels of NO, MCP-1, VEGF, IL-8, ICAM-1 and endothelial ROS were significantly increased in both mono- and co-culture models. Treatment with SPH <10 kDa (2.0 mg peptides/mL) significantly decreased all the inflammation markers when compared to TNF-α-treated control. This protective effect was more pronounced in the co-culture model, suggesting that SPH <10 kDa Caco-2 cells metabolites produced in the course of intestinal absorption may provide a more relevant protective effect against endothelial dysfunction. Additionally, indirect cross-talk between two cell types was established, suggesting that SPH <10 kDa may also bind to receptors on the Caco-2 cells, thereby triggering a pathway to secrete the pro-inflammatory compounds. Overall, these in vitro screening results, in which intestinal digestion, absorption and endothelial bioactivity are simulated, show the potential of SPH to be used as a functional food with anti-inflammatory properties.

  2. Structural properties and stability of the bcc and omega phases in the Zr-Nb system. Pt. II. Composition dependence of the lattice parameters

    International Nuclear Information System (INIS)

    Grad, G.B.; Guillermet, A.F.; Pieres, J.J.; Cuello, G.J.; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires; Universidad Nacional del Comahue

    1996-01-01

    For pt.I see Guillermet, A.F., J. Nucl. Mater., vol.218, p.236-46, 1995. This paper deals with the composition dependence of the lattice parameters of the bcc and omega phases of the Zr-Nb system. The experimental part of the work comprises neutron scattering experiments on a Zr-10 at.% Nb alloy in the as-quenched state and after successive aging treatments at 773 K. This new information is combined with an extensive review of the available data, and a detailed analysis is performed of the effects of composition and heat-treatment upon the lattice parameters a Ω and c Ω of the omega phase and the lattice-parameter relations between bcc and omega. A striking behaviour is detected in the variation of a Ω with composition in low-Nb alloys. (orig.)

  3. A Stabilized Incompressible SPH Method by Relaxing the Density Invariance Condition

    Directory of Open Access Journals (Sweden)

    Mitsuteru Asai

    2012-01-01

    Full Text Available A stabilized Incompressible Smoothed Particle Hydrodynamics (ISPH is proposed to simulate free surface flow problems. In the ISPH, pressure is evaluated by solving pressure Poisson equation using a semi-implicit algorithm based on the projection method. Even if the pressure is evaluated implicitly, the unrealistic pressure fluctuations cannot be eliminated. In order to overcome this problem, there are several improvements. One is small compressibility approach, and the other is introduction of two kinds of pressure Poisson equation related to velocity divergence-free and density invariance conditions, respectively. In this paper, a stabilized formulation, which was originally proposed in the framework of Moving Particle Semi-implicit (MPS method, is applied to ISPH in order to relax the density invariance condition. This formulation leads to a new pressure Poisson equation with a relaxation coefficient, which can be estimated by a preanalysis calculation. The efficiency of the proposed formulation is tested by a couple of numerical examples of dam-breaking problem, and its effects are discussed by using several resolution models with different particle initial distances. Also, the effect of eddy viscosity is briefly discussed in this paper.

  4. Numerical simulation of the electrohydrodynamic effects on bubble rising using the SPH method

    International Nuclear Information System (INIS)

    Rahmat, A.; Tofighi, N.; Yildiz, M.

    2016-01-01

    Highlights: • An oil-water bubble rising system is simulated under the electrohydrodynamic effects using ISPH method. • The bubble aspect ratio increases by incrementing electrical capillary and Reynolds numbers, and decrementing the Bond number. • The centroid velocity increases with increments of electric capillary and Reynolds number. • Negative values of the bottom velocity are observed due to the pulling effect of the bottom boundary. • The distance between the bubble centroids decreases in vertically in-line bubble pairs. - Abstract: In this paper, numerical simulations of two dimensional bubble rising in the presence of electrohydrodynamic forces are presented. The physical properties of the bubble and the background fluid are adjusted to resemble an oil-water system. The numerical technique utilized to discretize the governing equations is the Lagrangian Incompressible Smoothed Particle Hydrodynamics (ISPH) method. A single bubble is subjected to an electric field using a leaky dielectric model under different values of Reynolds, Bond and electrical Capillary numbers. The results show that the bubble elongates in the direction of the electric field forming a prolate shape. The increase in the values of Reynolds and electrical Capillary numbers enhances prolate deformation of the bubble, but raising the Bond number reduces the prolateness of the bubble. The interaction of a bubble pair is also investigated for various configurations. If the bubbles are placed such that their centroids are vertically in-line, they tend to merge due to the initial prolate deformation. However, the bubbles do not merge for off center-oriented cases.

  5. Compositional dependence of optical and electrical properties of indium doped zinc oxide (IZO) thin films deposited by chemical spray pyrolysis

    Science.gov (United States)

    Dintle, Lawrence K.; Luhanga, Pearson V. C.; Moditswe, Charles; Muiva, Cosmas M.

    2018-05-01

    The structural and optoelectronic properties of undoped and indium doped zinc oxide (IZO) thin films grown on glass substrates through a simple reproducible custom-made pneumatic chemical spray pyrolysis technique are presented. X-ray diffraction (XRD) results showed a polycrystalline structure of hexagonal wurtzite phase growing preferentially along the (002) plane for the undoped sample. Increase in dopant content modified the orientation leading to more pronounced (100) and (101) reflections. Optical transmission spectra showed high transmittance of 80-90% in the visible range for all thin films. The optical band gap energy (Eg) was evaluated on the basis of the derivative of transmittance (dT/dλ) versus wavelength (λ) model and Tauc's extrapolation method in the region where the absorption coefficient, α ≥ 104 cm-1. The observed values of Eg were found to decrease generally with increasing In dopant concentration. From the figure of merit calculations a sample with 4 at.% In dopant concentration showed better optoelectronic properties.

  6. A smoothed particle hydrodynamics (SPH) study on polydisperse sediment from technical activities on seabed

    Science.gov (United States)

    Tran-Duc, Thien; Phan-Thien, Nhan; Khoo, Boo Cheong

    2018-02-01

    Technical activities to collect poly-metallic nodules on a seabed are likely to disturb the top-layer sediment and re-suspend it into the ambient ocean water. The transport of the re-suspended polydisperse-sized sediment is a process in which particles' size variation leads to a difference in their settling velocities; and thus the polydispersity in sizes of sediment has to be taken into account in the modeling process. The sediment transport within a window of 12 km is simulated and analyzed numerically in this study. The sediment characteristic and the ocean current data taken from the Peru Basin, Pacific Ocean, are used in the simulations. More than 50% of the re-suspended sediment are found to return to the bottom after 24 h. The sediment concentration in the ambient ocean water does not exceed 3.5 kg/m3 during the observed period. The deposition rate steadily increases and reaches 70% of the sediment re-suspension rate after 24 h. The sediment plume created by the activities comprises mainly very fine sediment particles (clays and silts), whereas coarser particles (sands) are found in abundance in the deposited sediment within 1 km from the source location. It is also found that the deposition process of the re-suspended sediment is changed remarkably as the current velocity increases from 0.05 m/s (medium current) to 0.1 m/s (strong current). The strong sediment deposition trend is also observed as the sediment source moves continuously over a region due to the sediment scattering effect.

  7. 3D Radiative Transfer in Eta Carinae: Application of the SimpleX Algorithm to 3D SPH Simulations of Binary Colliding Winds

    Science.gov (United States)

    Clementel, N.; Madura, T. I.; Kruip, C. J. H.; Icke, V.; Gull, T. R.

    2014-01-01

    Eta Carinae is an ideal astrophysical laboratory for studying massive binary interactions and evolution, and stellar wind-wind collisions. Recent three-dimensional (3D) simulations set the stage for understanding the highly complex 3D flows in Eta Car. Observations of different broad high- and low-ionization forbidden emission lines provide an excellent tool to constrain the orientation of the system, the primary's mass-loss rate, and the ionizing flux of the hot secondary. In this work we present the first steps towards generating synthetic observations to compare with available and future HST/STIS data. We present initial results from full 3D radiative transfer simulations of the interacting winds in Eta Car. We use the SimpleX algorithm to post-process the output from 3D SPH simulations and obtain the ionization fractions of hydrogen and helium assuming three different mass-loss rates for the primary star. The resultant ionization maps of both species constrain the regions where the observed forbidden emission lines can form. Including collisional ionization is necessary to achieve a better description of the ionization states, especially in the areas shielded from the secondary's radiation. We find that reducing the primary's mass-loss rate increases the volume of ionized gas, creating larger areas where the forbidden emission lines can form. We conclude that post processing 3D SPH data with SimpleX is a viable tool to create ionization maps for Eta Car.

  8. Modeling the Structure and Dynamics of Dwarf Spheroidal Galaxies with Dark Matter and Tides

    Science.gov (United States)

    Muñoz, Ricardo R.; Majewski, Steven R.; Johnston, Kathryn V.

    2008-05-01

    We report the results of N-body simulations of disrupting satellites aimed at exploring whether the observed features of dSphs can be accounted for with simple, mass-follows-light (MFL) models including tidal disruption. As a test case, we focus on the Carina dwarf spheroidal (dSph), which presently is the dSph system with the most extensive data at large radius. We find that previous N-body, MFL simulations of dSphs did not sufficiently explore the parameter space of satellite mass, density, and orbital shape to find adequate matches to Galactic dSph systems, whereas with a systematic survey of parameter space we are able to find tidally disrupting, MFL satellite models that rather faithfully reproduce Carina's velocity profile, velocity dispersion profile, and projected density distribution over its entire sampled radius. The successful MFL model satellites have very eccentric orbits, currently favored by CDM models, and central velocity dispersions that still yield an accurate representation of the bound mass and observed central M/L ~ 40 of Carina, despite inflation of the velocity dispersion outside the dSph core by unbound debris. Our survey of parameter space also allows us to address a number of commonly held misperceptions of tidal disruption and its observable effects on dSph structure and dynamics. The simulations suggest that even modest tidal disruption can have a profound effect on the observed dynamics of dSph stars at large radii. Satellites that are well described by tidally disrupting MFL models could still be fully compatible with ΛCDM if, for example, they represent a later stage in the evolution of luminous subhalos.

  9. 1D and 3D Polymeric Manganese(II) Thiolato Complexes: Synthesis, Structure, and Properties of    ∞3[Mn4(SPh)8] and ∞1[Mn(SMes)2].

    Science.gov (United States)

    Eichhöfer, Andreas; Lebedkin, Sergei

    2018-01-16

    Reactions of [Mn{N(SiMe 3 ) 2 } 2 ] 2 with 2.1 equiv of RSH, R = Ph or Mes = C 6 H 2 -2,4,6-(CH 3 ) 3 , yield compounds of the formal composition "Mn(SR) 2 ". Single-crystal X-ray diffraction reveals that ∞ 1 [Mn(SMes) 2 ] forms one-dimensional chains in the crystal via μ 2 -SMes bridges, whereas ∞ 3 [Mn 4 (SPh) 8 ] comprises a three-dimensional network in which adamantanoid cages composed of four Mn atoms and six μ 2 -bridging SPh ligands are connected in three dimensions by doubly bridging SPh ligands. Thermogravimetric analysis and powder diffractometry indicate an reversible uptake of solvent molecules (tetrahydrofuran) into the channels of ∞ 1 [Mn(SMes) 2 ]. Magnetic measurements reveal antiferromagnetic coupling for both compounds with J = -8.2 cm -1 ( ∞ 1 [Mn(SMes) 2 ]) and -10.0 cm -1 ( ∞ 3 [Mn 4 (SPh) 8 ]), respectively. Their optical absorption and photoluminescence (PL) excitation spectra display characteristic d-d bands of Mn 2+ ions in the visible spectral region. Both compounds emit bright phosphorescence at ∼800 nm at low temperatures (SMes) 2 ] retains a moderately intense emission at ambient temperature (with a quantum yield of 1.2%). Similar PL properties are also found for the related selenolate complexes ∞ 1 [Mn(SeR) 2 ] (R = Ph, Mes).

  10. Facile growth and composition-dependent photocatalytic activity of flowerlike BiOCl{sub 1−x}Br{sub x} hierarchical microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Qin; Guo, Yingna [School of Chemistry, Northeast Normal University, Changchun 130024 (China); Zhou, Dandan; Yang, Yuxin [School of Environment, Northeast Normal University, Changchun, 130117 (China); Guo, Yihang, E-mail: guoyh@nenu.edu.cn [School of Environment, Northeast Normal University, Changchun, 130117 (China)

    2016-12-30

    Highlights: • Flowerlike BiOCl{sub 1−x}Br{sub x} hierarchical microspheres were prepared by solvothermal route. • BiOCl{sub 1−x}Br{sub x} microspheres exhibited composition-dependent photocatalytic activity. • Band gap and potential of valence band dominated the photoactivity of BiOCl{sub 1−x}Br{sub x}. • BiOCl{sub 1−x}Br{sub x} microspheres can be reused at least four times without obvious activity loss. - Abstract: A group of nanosheet-assembled three-dimensional BiOCl{sub 1−x}Br{sub x} hierarchical microspheres (x = 0, 0.3, 0.4, 0.5, 0.7, 0.8 and 1.0) with layered tetragonal crystal phase were prepared by 2-methoxyethanol-assisted solvothermal route and using ionic liquids as both halogen sources and structure-directing agent. By the combination of the results including XRD, XPS and UV–vis/DR spectra, lattice substitution of halogen atoms each other and then formation of BiOCl{sub 1−x}Br{sub x} solid solution was evidenced. Additionally, the BiOCl{sub 1−x}Br{sub x} microspheres exhibited interesting composition-dependent band gaps. The simulated sunlight and visible-light photocatalytic properties including degradation, mineralization and reusability of the BiOCl{sub 1−x}Br{sub x} microspheres were evaluated by selecting p-nitrophenol (PNP) and tetrabromobisphenol-A (TBBPA) as the target pollutant compounds, finding that the balance between the suitable band gap and adequate potential of the valence band in BiOCl{sub 1−x}Br{sub x} crystals dominated their photocatalytic activity. Additionally, the BiOCl{sub 1−x}Br{sub x} microspheres with advantages such as enhanced photon utilization efficiency, larger BET surface area and favorable (110) exposed reactive surface gave the positive influence on their photocatalytic activity. Based on the results of photoelectrochemistry experiment and indirect chemical probe testing, direct {sup •} O{sub 2}{sup −} and h{sub VB}{sup +} photooxidation for the decomposition of PNP or TBBPA was

  11. Composition-dependent phase separation effects of organic solar cells using P3HT:PCBM as active layer and chromium oxide as hole transporting layer

    International Nuclear Information System (INIS)

    Qin Pingli; Fang Guojia; Sun Nanhai; Fan Xi; Zheng Qiao; Chen Fei; Wan Jiawei; Zhao Xingzhong

    2011-01-01

    Phase separation of the poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) active layer (ATL) was investigated by varying their relative ratio in the organic solar cells (OSCs). With the help of the UV/visible spectrophotometer, optical microscopy and scanning electron microscope, we found that the cluster of PCBM at the interface or surface was affected by Al cathode, the composition of the blends and thermal annealing. The disc-like shape crystals of PCBM substituted for the needle-like ones at higher PCBM compositions at the ATL/Al interface, which led to stronger contacts and bigger contact area. It could make short circuit current density increase, but may affect the blend morphology and result in parallel resistance and open circuit voltage decreased with the PCBM ratio increasing from 40 to 60%. The microstructure of the P3HT:PCBM ATL, determined by the composition dependent phase separation, supported the optimized performance of the OSCs with the composition of 40-50% PCBM.

  12. Smoothed particle hydrodynamics modelling in continuum mechanics: fluid-structure interaction

    Directory of Open Access Journals (Sweden)

    Groenenboom P. H. L.

    2009-06-01

    Full Text Available Within this study, the implementation of the smoothed particle hydrodynamics (SPH method solving the complex problem of interaction between a quasi-incompressible fluid involving a free surface and an elastic structure is outlined. A brief description of the SPH model for both the quasi-incompressible fluid and the isotropic elastic solid is presented. The interaction between the fluid and the elastic structure is realised through the contact algorithm. The results of numerical computations are confronted with the experimental as well as computational data published in the literature.

  13. Reacción de ligandos azufrados con el complejo au2pt (ch2p(Sph24,cl2

    Directory of Open Access Journals (Sweden)

    Guillermo Garzón

    2010-07-01

    Full Text Available Se describe la reacción de intercambio del cloro en el complejo au2pt (ch2p(Sph24,cl2 por los ligandos SCH2Ph-,S2CN(CH2CH3,2- y SCN-. Los nuevos derivados azufrados se caracterizan por análisis químico, espectroscopia infrarroja, electrónica y resonancia magnética nuclear protónica. Los ligandos se coordinan por el azufre a los dos átomos sw oro metálico en forma simétrica. El análisis elemental concuerda con las estequiomctrías y estructuras propuestas.

  14. Solvent Composition-Dependent Signal-Reduction of Molecular Ions Generated from Aromatic Compounds in (+) Atmospheric Pressure Photo Ionization Mass Spectrometry.

    Science.gov (United States)

    Lee, Seulgidaun; Ahmed, Arif; Kim, Sunghwan

    2018-03-30

    The ionization process is essential for successful mass spectrometry (MS) analysis because of its influence on selectivity and sensitivity. In particular, certain solvents reduce the ionization of the analyte, thereby reducing the overall sensitivity in APPI. Since the sensitivity varies greatly depending on the solvents, a fundamental understanding of the mechanism is required. Standard solutions were analyzed by (+) Atmospheric pressure photo ionization (APPI) QExactive ion trap mass spectrometer (Thermo Scientific). Each solution was infused directly to the APPI source at a flow rate 100 μl/min and the APPI source temperature was 300 °C. Other operating mass spectrometric parameters were maintained under the same conditions. Quantum mechanical calculations were carried out using the Gaussian 09 suite program. Density functional theory was used to calculate the reaction enthalpies (∆H) of reaction between toluene and other solvents. The experimental and theoretical results showed good agreement. The abundances of analyte ions were well correlated with the calculated ∆H values. Therefore, the results strongly support the suggested signal reduction mechanism. In addition, linear correlations between the abundance of toluene and analyte molecular ions were observed, which also supports the suggested mechanism. A solvent composition-dependent signal reduction mechanism was suggested and evaluated for the (+) atmospheric pressure photo ionization (APPI) mass spectrometry analysis of poly-aromatic hydrocarbons (PAHs) generating mainly molecular ions. Overall, the evidence provided in this work suggests that reactions between solvent cluster(s) and toluene molecular ions are responsible for the observed signal reductions. This article is protected by copyright. All rights reserved.

  15. Three-Dimensional Smoothed Particle Hydrodynamics Modeling of Preferential Flow Dynamics at Fracture Intersections on a High-Performance Computing Platform

    Science.gov (United States)

    Kordilla, J.; Bresinsky, L. T.

    2017-12-01

    The physical mechanisms that govern preferential flow dynamics in unsaturated fractured rock formations are complex and not well understood. Fracture intersections may act as an integrator of unsaturated flow, leading to temporal delay, intermittent flow and partitioning dynamics. In this work, a three-dimensional Pairwise-Force Smoothed Particle Hydrodynamics (PF-SPH) model is being applied in order to simulate gravity-driven multiphase flow at synthetic fracture intersections. SPH, as a meshless Lagrangian method, is particularly suitable for modeling deformable interfaces, such as three-phase contact dynamics of droplets, rivulets and free-surface films. The static and dynamic contact angle can be recognized as the most important parameter of gravity-driven free-surface flow. In SPH, surface tension and adhesion naturally emerges from the implemented pairwise fluid-fluid (sff) and solid-fluid (ssf) interaction force. The model was calibrated to a contact angle of 65°, which corresponds to the wetting properties of water on Poly(methyl methacrylate). The accuracy of the SPH simulations were validated against an analytical solution of Poiseuille flow between two parallel plates and against laboratory experiments. Using the SPH model, the complex flow mode transitions from droplet to rivulet flow of an experimental study were reproduced. Additionally, laboratory dimensionless scaling experiments of water droplets were successfully replicated in SPH. Finally, SPH simulations were used to investigate the partitioning dynamics of single droplets into synthetic horizontal fractures with various apertures (Δdf = 0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0 mm) and offsets (Δdoff = -1.5, -1.0, -0.5, 0, 1.0, 2.0, 3.0 mm). Fluid masses were measured in the domains R1, R2 and R3. The perfect conditions of ideally smooth surfaces and the SPH inherent advantage of particle tracking allow the recognition of small scale partitioning mechanisms and its importance for bulk flow

  16. Size-confined fixed-composition and composition-dependent engineered band gap alloying induces different internal structures in L-cysteine-capped alloyed quaternary CdZnTeS quantum dots

    Science.gov (United States)

    Adegoke, Oluwasesan; Park, Enoch Y.

    2016-06-01

    The development of alloyed quantum dot (QD) nanocrystals with attractive optical properties for a wide array of chemical and biological applications is a growing research field. In this work, size-tunable engineered band gap composition-dependent alloying and fixed-composition alloying were employed to fabricate new L-cysteine-capped alloyed quaternary CdZnTeS QDs exhibiting different internal structures. Lattice parameters simulated based on powder X-ray diffraction (PXRD) revealed the internal structure of the composition-dependent alloyed CdxZnyTeS QDs to have a gradient nature, whereas the fixed-composition alloyed QDs exhibited a homogenous internal structure. Transmission electron microscopy (TEM) and dynamic light scattering (DLS) analysis confirmed the size-confined nature and monodispersity of the alloyed nanocrystals. The zeta potential values were within the accepted range of colloidal stability. Circular dichroism (CD) analysis showed that the surface-capped L-cysteine ligand induced electronic and conformational chiroptical changes in the alloyed nanocrystals. The photoluminescence (PL) quantum yield (QY) values of the gradient alloyed QDs were 27-61%, whereas for the homogenous alloyed QDs, the PL QY values were spectacularly high (72-93%). Our work demonstrates that engineered fixed alloying produces homogenous QD nanocrystals with higher PL QY than composition-dependent alloying.

  17. Exploitation du consommateur et aliénation du client. La sphère domestique comme espace de création de valeur économique et symbolique

    OpenAIRE

    Perronet, Alexandra

    2011-01-01

    La phase actuelle d’accumulation capitalistique tend à faire de la consommation non seulement une sphère de reproduction des rapports sociaux, mais un lieu de production des forces de travail. Partant de ce postulat, cet article se propose de montrer comment les pratiques de consommation structurent les rapports sociaux de production. Selon l’auteur, il s'agit d'une question à la fois pratique et symbolique : la consommation déterminant tant l'organisation des rapports sociaux que le développ...

  18. The effect of non-sphericity on mass and anisotropy measurements in dSph galaxies with Schwarzschild method

    Science.gov (United States)

    Kowalczyk, Klaudia; Łokas, Ewa L.; Valluri, Monica

    2018-05-01

    In our previous work we confirmed the reliability of the spherically symmetric Schwarzschild orbit-superposition method to recover the mass and velocity anisotropy profiles of spherical dwarf galaxies. Here, we investigate the effect of its application to intrinsically non-spherical objects. For this purpose we use a model of a dwarf spheroidal galaxy formed in a numerical simulation of a major merger of two discy dwarfs. The shape of the stellar component of the merger remnant is axisymmetric and prolate which allows us to identify and measure the bias caused by observing the spheroidal galaxy along different directions, especially the longest and shortest principal axis. The modelling is based on mock data generated from the remnant that are observationally available for dwarfs: projected positions and line-of-sight velocities of the stars. In order to obtain a reliable tool while keeping the number of parameters low we parametrize the total mass distribution as a radius-dependent mass-to-light ratio with just two free parameters we aim to constrain. Our study shows that if the total density profile is known, the true, radially increasing anisotropy profile can be well recovered for the observations along the longest axis whereas the data along the shortest axis lead to the inference of an incorrect, isotropic model. On the other hand, if the density profile is derived from the method as well, the anisotropy is always underestimated but the total mass profile is well recovered for the data along the shortest axis whereas for the longest axis the mass content is overestimated.

  19. Numerical modelling of the effect of using multi-explosives on the explosive forming of steel cones

    OpenAIRE

    De Vuyst, T; Kong, K; Djordjevic, N; Vignjevic, R; Campbell, JC; Hughes, K

    2016-01-01

    Modelling and analysis of underwater explosive forming process by using FEM and SPH formulation is presented in this work. The explosive forming of a steel cone is studied. The model setup includes a low carbon steel plate, plate holder, forming die as well as water and C4 explosive. The effect of multiple explosives on rate of targets deformation has been studied. Four different multi-explosives models have been developed and compared to the single explosive model. The formability of the ste...

  20. Verify Super Double-Heterogeneous Spherical Lattice Model for Equilibrium Fuel Cycle Analysis AND HTR Spherical Super Lattice Model for Equilibrium Fuel Cycle Analysis

    International Nuclear Information System (INIS)

    Gray S. Chang

    2005-01-01

    The currently being developed advanced High Temperature gas-cooled Reactors (HTR) is able to achieve a simplification of safety through reliance on innovative features and passive systems. One of the innovative features in these HTRs is reliance on ceramic-coated fuel particles to retain the fission products even under extreme accident conditions. Traditionally, the effect of the random fuel kernel distribution in the fuel pebble/block is addressed through the use of the Dancoff correction factor in the resonance treatment. However, the Dancoff correction factor is a function of burnup and fuel kernel packing factor, which requires that the Dancoff correction factor be updated during Equilibrium Fuel Cycle (EqFC) analysis. An advanced KbK-sph model and whole pebble super lattice model (PSLM), which can address and update the burnup dependent Dancoff effect during the EqFC analysis. The pebble homogeneous lattice model (HLM) is verified by the burnup characteristics with the double-heterogeneous KbK-sph lattice model results. This study summarizes and compares the KbK-sph lattice model and HLM burnup analyzed results. Finally, we discuss the Monte-Carlo coupling with a fuel depletion and buildup code--ORIGEN-2 as a fuel burnup analysis tool and its PSLM calculated results for the HTR EqFC burnup analysis

  1. Modulation of sphingosine 1-phosphate (S1P) attenuates spatial learning and memory impairments in the valproic acid rat model of autism.

    Science.gov (United States)

    Wu, Hongmei; Zhang, Quanzhi; Gao, Jingquan; Sun, Caihong; Wang, Jia; Xia, Wei; Cao, Yonggang; Hao, Yanqiu; Wu, Lijie

    2018-03-01

    Autism spectrum disorders (ASD) are a set of pervasive neurodevelopmental disorders that manifest in early childhood, and it is growing up to be a major cause of disability in children. However, the etiology and treatment of ASD are not well understood. In our previous study, we found that serum levels of sphingosine 1-phosphate (S1P) were increased significantly in children with autism, indicating that S1P levels may be involved in ASD. The objective of this study was to identify a link between increased levels of S1P and neurobehavioral changes in autism. We utilized a valproic acid (VPA) -induced rat model of autism to evaluate the levels of S1P and the expression of sphingosine kinase (SphK), a key enzyme for S1P production, in serum and hippocampal tissue. Furthermore, we assessed cognitive functional changes and histopathological and neurochemical alterations in VPA-exposed rats after SphK blockade to explore the possible link between increased levels of S1P and neurobehavioral changes in autism. We found that SphK2 and S1P are upregulated in hippocampal tissue from VPA-exposed rats, while pharmacological inhibition of SphK reduced S1P levels, attenuated spatial learning and memory impairments, increased the expression of phosphorylated CaMKII and CREB and autophagy-related proteins, inhibited cytochrome c release, decreased the expression of apoptosis related proteins, and protected against neuronal loss in the hippocampus. We have demonstrated that an increased level of SphK2/S1P is involved in the spatial learning and memory impairments of autism, and this signaling pathway represents a novel therapeutic target and direction for future studies.

  2. Synthesis of Au38(SCH2CH2Ph)24, Au36(SPh-tBu)24, and Au30(S-tBu)18 Nanomolecules from a Common Precursor Mixture.

    Science.gov (United States)

    Rambukwella, Milan; Dass, Amala

    2017-10-17

    Phenylethanethiol protected nanomolecules such as Au 25 , Au 38 , and Au 144 are widely studied by a broad range of scientists in the community, owing primarily to the availability of simple synthetic protocols. However, synthetic methods are not available for other ligands, such as aromatic thiol and bulky ligands, impeding progress. Here we report the facile synthesis of three distinct nanomolecules, Au 38 (SCH 2 CH 2 Ph) 24 , Au 36 (SPh-tBu) 24 , and Au 30 (S-tBu) 18 , exclusively, starting from a common Au n (glutathione) m (where n and m are number of gold atoms and glutathiolate ligands) starting material upon reaction with HSCH 2 CH 2 Ph, HSPh-tBu, and HStBu, respectively. The systematic synthetic approach involves two steps: (i) synthesis of kinetically controlled Au n (glutathione) m crude nanocluster mixture with 1:4 gold to thiol molar ratio and (ii) thermochemical treatment of the purified nanocluster mixture with excess thiols to obtain thermodynamically stable nanomolecules. Thermochemical reactions with physicochemically different ligands formed highly monodispersed, exclusively three different core-size nanomolecules, suggesting a ligand induced core-size conversion and structural transformation. The purpose of this work is to make available a facile and simple synthetic method for the preparation of Au 38 (SCH 2 CH 2 Ph) 24 , Au 36 (SPh-tBu) 24 , and Au 30 (S-tBu) 18 , to nonspecialists and the broader scientific community. The central idea of simple synthetic method was demonstrated with other ligand systems such as cyclopentanethiol (HSC 5 H 9 ), cyclohexanethiol(HSC 6 H 11 ), para-methylbenzenethiol(pMBT), 1-pentanethiol(HSC 5 H 11 ), 1-hexanethiol(HSC 6 H 13 ), where Au 36 (SC 5 H 9 ) 24 , Au 36 (SC 6 H 11 ) 24 , Au 36 (pMBT) 24 , Au 38 (SC 5 H 11 ) 24 , and Au 38 (SC 6 H 13 ) 24 were obtained, respectively.

  3. Modelization of ratcheting in biaxial experiments

    International Nuclear Information System (INIS)

    Guionnet, C.

    1989-08-01

    A new unified viscoplastic constitutive equation has been developed in order to interpret ratcheting experiments on mechanical structures of fast reactors. The model is based essentially on a generalized Armstrong Frederick equation for the kinematic variable; the coefficients of the dynamic recovery term in this equation is a function of both instantaneous and accumulated inelastic strain which is allowed to vary in an appropriate manner in order to reproduce the experimental ratcheting rate. The validity of the model is verified by comparing predictions with experimental results for austenitic stainless steel (17-12 SPH) tubular specimens subjected to cyclic torsional loading under constant tensile stress at 600 0 C [fr

  4. Smoothed-particle-hydrodynamics modeling of dissipation mechanisms in gravity waves.

    Science.gov (United States)

    Colagrossi, Andrea; Souto-Iglesias, Antonio; Antuono, Matteo; Marrone, Salvatore

    2013-02-01

    The smoothed-particle-hydrodynamics (SPH) method has been used to study the evolution of free-surface Newtonian viscous flows specifically focusing on dissipation mechanisms in gravity waves. The numerical results have been compared with an analytical solution of the linearized Navier-Stokes equations for Reynolds numbers in the range 50-5000. We found that a correct choice of the number of neighboring particles is of fundamental importance in order to obtain convergence towards the analytical solution. This number has to increase with higher Reynolds numbers in order to prevent the onset of spurious vorticity inside the bulk of the fluid, leading to an unphysical overdamping of the wave amplitude. This generation of spurious vorticity strongly depends on the specific kernel function used in the SPH model.

  5. Systemic Delivery of a Glucosylceramide Synthase Inhibitor Reduces CNS Substrates and Increases Lifespan in a Mouse Model of Type 2 Gaucher Disease

    OpenAIRE

    Cabrera-Salazar, Mario A.; DeRiso, Matthew; Bercury, Scott D.; Li, Lingyun; Lydon, John T.; Weber, William; Pande, Nilesh; Cromwell, Mandy A.; Copeland, Diane; Leonard, John; Cheng, Seng H.; Scheule, Ronald K.

    2012-01-01

    Neuropathic Gaucher disease (nGD), also known as type 2 or type 3 Gaucher disease, is caused by a deficiency of the enzyme glucocerebrosidase (GC). This deficiency impairs the degradation of glucosylceramide (GluCer) and glucosylsphingosine (GluSph), leading to their accumulation in the brains of patients and mouse models of the disease. These accumulated substrates have been thought to cause the severe neuropathology and early death observed in patients with nGD and mouse models. Substrate a...

  6. Smoothed particle hydrodynamics model for Landau-Lifshitz-Navier-Stokes and advection-diffusion equations.

    Science.gov (United States)

    Kordilla, Jannes; Pan, Wenxiao; Tartakovsky, Alexandre

    2014-12-14

    We propose a novel smoothed particle hydrodynamics (SPH) discretization of the fully coupled Landau-Lifshitz-Navier-Stokes (LLNS) and stochastic advection-diffusion equations. The accuracy of the SPH solution of the LLNS equations is demonstrated by comparing the scaling of velocity variance and the self-diffusion coefficient with kinetic temperature and particle mass obtained from the SPH simulations and analytical solutions. The spatial covariance of pressure and velocity fluctuations is found to be in a good agreement with theoretical models. To validate the accuracy of the SPH method for coupled LLNS and advection-diffusion equations, we simulate the interface between two miscible fluids. We study formation of the so-called "giant fluctuations" of the front between light and heavy fluids with and without gravity, where the light fluid lies on the top of the heavy fluid. We find that the power spectra of the simulated concentration field are in good agreement with the experiments and analytical solutions. In the absence of gravity, the power spectra decay as the power -4 of the wavenumber-except for small wavenumbers that diverge from this power law behavior due to the effect of finite domain size. Gravity suppresses the fluctuations, resulting in much weaker dependence of the power spectra on the wavenumber. Finally, the model is used to study the effect of thermal fluctuation on the Rayleigh-Taylor instability, an unstable dynamics of the front between a heavy fluid overlaying a light fluid. The front dynamics is shown to agree well with the analytical solutions.

  7. Comparison of Nitrogen Bioaccessibility from Salmon and Whey Protein Hydrolysates using a Human Gastrointestinal Model (TIM-1

    Directory of Open Access Journals (Sweden)

    Bomi Framroze

    2014-05-01

    Full Text Available Background: The TIM-1 system is a computer-controlled multi-compartmental dynamic model that closely simulates in vivo gastrointestinal tract digestion in humans. During digestion, the compounds released from meal matrix by gastric and intestinal secretions (enzymes are progressively absorbed through semipermeable membranes depending on their molecular weight. These absorbed (dialysed compounds are considered as bioaccessible, which means that they can be theoretically absorbed by the small intestine in the body. Methods: Salmon protein hydrolysate (SPH, whey protein hydrolysates extensively (WPHHigh or weakly (WPH-Low hydrolysed, non-hydrolysed whey protein isolate (WPI and mixtures of WPI:SPH (90:10, 80:20 were digested in TIM-1 using the conditions for a fast gastrointestinal transit that simulate the digestion of a liquid meal in human adults. During digestion (2 hours, samples were collected in intestinal compartments (duodenum, jejunum, and ileum and in both jejunal and ileal dialysates to determine their nitrogen content. All the products were compared in terms of kinetics of nitrogen absorption through the semipermeable membranes (bioaccessible nitrogen and nitrogen distribution throughout the intestinal compartments at the end of the 2 hour digestion. Results: After a 2 h-digestion in TIM-1, SPH was the protein substrate from which the highest amount of nitrogen (67.0% becomes available for the small intestine absorption. WPH-High had the second highest amount (56.0% of bioaccessible nitrogen while this amount decreased to 38.5–42.2% for the other protein substrates. The high nitrogen bioaccessibility of SPH is consistent with its richness in low molecular weight peptides (50% < 1000 Da. Conclusions: The results of this study indicate that SPH provides a higher proportion of bioaccessible nitrogen to a healthy adult compared to all forms of whey proteins, including extensively hydrolysed whey protein hydrolysate. The substitution of

  8. Accéder à la maison individuelle en zone périurbaine : passé résidentiel, position dans le cycle de vie et sphères d’identification

    Directory of Open Access Journals (Sweden)

    Josette Debroux

    2012-05-01

    Full Text Available Les zones périurbaines sont un lieu d’installation privilégié des « jeunes ménages avec enfants » en provenance des pôles urbains qui, tout en continuant de travailler en ville, souhaitent accéder à la propriété d’une maison individuelle. En tenant compte de la socialisation résidentielle, structurée par des normes, des représentations qui dessinent le champ des possibles en matière résidentielle dans un contexte socio-historique donné, des positions occupées dans les trajectoires conjugale, familiale et professionnelle au moment de l’installation, l’objectif de cet article est de montrer l’enjeu, en termes d’identité sociale espérée, du choix résidentiel périurbain qui intervient dans des configurations familiales variées où les conjoints sont investis de manière différenciée dans les différentes sphères d’activités. Les attentes en termes d’identité résidentielle qui dépendent des identités attendues et reçues dans les autres sphères varient selon la position sociale, selon la pente de la trajectoire professionnelle, selon le genre. Quand les identités professionnelles ne coïncident pas avec les identités espérées, que les chances de parvenir à un ajustement sont faibles, l’investissement dans la sphère résidentielle est important.Suburban areas are privileged by the "young couples with children" from the urban poles which, while continuing to work in town, wish to be first-time buyer of a detached house. By taking into account of the residential socialization, structured by norms, representations which show the field of the possibilities in residential sphere in a given socio-historic context, positions had in the conjugal, family and professional trajectories when they arrive, the aim of this paper is to show the stake, in terms of expected social identity, the suburban residential choice which come up in varied family configurations where the husband and wife invest

  9. Sphingosine kinase 1 deficiency confers protection against hyperoxia-induced bronchopulmonary dysplasia in a murine model: role of S1P signaling and Nox proteins.

    Science.gov (United States)

    Harijith, Anantha; Pendyala, Srikanth; Reddy, Narsa M; Bai, Tao; Usatyuk, Peter V; Berdyshev, Evgeny; Gorshkova, Irina; Huang, Long Shuang; Mohan, Vijay; Garzon, Steve; Kanteti, Prasad; Reddy, Sekhar P; Raj, J Usha; Natarajan, Viswanathan

    2013-10-01

    Bronchopulmonary dysplasia of the premature newborn is characterized by lung injury, resulting in alveolar simplification and reduced pulmonary function. Exposure of neonatal mice to hyperoxia enhanced sphingosine-1-phosphate (S1P) levels in lung tissues; however, the role of increased S1P in the pathobiological characteristics of bronchopulmonary dysplasia has not been investigated. We hypothesized that an altered S1P signaling axis, in part, is responsible for neonatal lung injury leading to bronchopulmonary dysplasia. To validate this hypothesis, newborn wild-type, sphingosine kinase1(-/-) (Sphk1(-/-)), sphingosine kinase 2(-/-) (Sphk2(-/-)), and S1P lyase(+/-) (Sgpl1(+/-)) mice were exposed to hyperoxia (75%) from postnatal day 1 to 7. Sphk1(-/-), but not Sphk2(-/-) or Sgpl1(+/-), mice offered protection against hyperoxia-induced lung injury, with improved alveolarization and alveolar integrity compared with wild type. Furthermore, SphK1 deficiency attenuated hyperoxia-induced accumulation of IL-6 in bronchoalveolar lavage fluids and NADPH oxidase (NOX) 2 and NOX4 protein expression in lung tissue. In vitro experiments using human lung microvascular endothelial cells showed that exogenous S1P stimulated intracellular reactive oxygen species (ROS) generation, whereas SphK1 siRNA, or inhibitor against SphK1, attenuated hyperoxia-induced S1P generation. Knockdown of NOX2 and NOX4, using specific siRNA, reduced both basal and S1P-induced ROS formation. These results suggest an important role for SphK1-mediated S1P signaling-regulated ROS in the development of hyperoxia-induced lung injury in a murine neonatal model of bronchopulmonary dysplasia. Copyright © 2013 American Society for Investigative Pathology. Published by Elsevier Inc. All rights reserved.

  10. From Newton to Einstein - N-body dynamics in galactic nuclei and SPH using new special hardware and astrogrid-D

    International Nuclear Information System (INIS)

    Spurzem, R; Berczik, P; Berentzen, I; Merritt, D; Nakasato, N; Adorf, H M; Bruesemeister, T; Schwekendiek, P; Steinacker, J; Wambsganss, J; Martinez, G Marcus; Lienhart, G; Kugel, A; Maenner, R; Burkert, A; Naab, T; Vasquez, H; Wetzstein, M

    2007-01-01

    The dynamics of galactic nuclei containing multiple supermassive black holes is modelled including relativistic dynamics. It is shown that for certain initial conditions there is no stalling problem for the relativistic coalescence of supermassive black hole binaries. This astrophysical application and another one using a smoothed particle hydrodynamics code are our first use cases on a new computer architecture using GRAPE and new MPRACE accelerator cards based on reconfigurable chips, developed in the GRACE project. We briefly discuss our science applications and first benchmarks obtained with the new hardware. Our present architecture still relies on the GRAPE special purpose hardware (not reconfigurable), but next generations will focus on new architectural approaches including custom network and computing architectures. The new hardware is embedded into national and international grid infrastructures

  11. New advances for modelling the debris avalanches

    Science.gov (United States)

    Cuomo, Sabatino; Cascini, Leonardo; Pastor, Manuel; Castorino, Giuseppe Claudio

    2013-04-01

    Flow-like landslides are a major global hazard and they occur worldwide causing a large number of casualties, significant structural damages to property and infrastructures as well as economic losses. When involving open slopes, these landslides often occur in triangular source areas where initial slides turn into avalanches through further failures and/or eventual soil entrainment. This paper deals with the numerical modelling of the propagation stage of debris avalanches which provides information such as the propagation pattern of the mobilized material, its velocity, thickness and run-out distance. In the paper, a "depth integrated" model is used which allows: i) adequately taking into account the irregular topography of real slopes which greatly affect the propagation stage and ii) using a less time consuming model than fully 3D approaches. The used model is named "GeoFlow_SPH" and it was formerly applied to theoretical, experimental and real case histories (Pastor et al., 2009; Cascini et al., 2012). In this work the behavior of debris avalanches is analyzed with special emphasis on the apical angle, one of the main features of this type of landslide, in relation to soil rheology, hillslope geometry and features of triggering area. Furthermore, the role of erosion has been investigated with reference to the uppermost parts of open slopes with a different steepness. These analyses are firstly carried out for simplified benchmark slopes, using both water-like materials (with no shear strength) and debris type materials. Then, three important case studies of Campania region (Cervinara, Nocera Inferiore e Sarno) are analyzed where debris avalanches involved pyroclastic soils originated from the eruptive products of Vesusius volcano. The results achieved for both benchmark slopes and real case histories outline the key role played by the erosion on the whole propagation stage of debris avalanches. The results are particularly satisfactory since they indicate the

  12. Redox routes to substitution of aluminum(III): synthesis and characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C≡CPh, N3, SPh, NHPh).

    Science.gov (United States)

    Myers, Thomas W; Holmes, Alexandra L; Berben, Louise A

    2012-08-20

    Redox active ligands are shown to facilitate a variety of group transfer reactions at redox inert aluminum(III). Disulfides can be used as a two-electron group transfer reagent, and we show that (IP(-))(2)AlSR can be formed by reaction of [(THF)(6)Na][(IP(2-))(2)Al] (1c) with disulfides RSSR (where X = C(S)NMe(2), 4; SMe, 5). In a more general redox route to substitution of aluminum bis(iminopyridine) complexes, we report zinc(II) salts as a group transfer reagent. Reaction of [((R)IP(2-))(2)Al](-) (R = H, 1c; Me, 1d) with ZnX(2) affords ((R)IP(-))(2)AlX (where IP = iminopyridine, R = H, and X = Cl, 2; CCPh, 6; N(3), 7; SPh, 8; or R = Me and X = NHPh, 9). Single crystal X-ray diffraction analysis of the complexes reveal that each of the five coordinate complexes reported here has a trigonal bipyramidal geometry with τ = 0.668 - 0.858. We observed a correlation between the greatest deviations from ideal trigonal bipyramidal symmetry (lowest τ values), the bond lengths consistent with smallest degree of ligand reduction, and the least polarizable X ligand in (IP(-))(2)AlX. Complex 4 is six-coordinate and is best described as distorted octahedral. Variable temperature magnetic susceptibility measurements indicate that each of the complexes 3-9 has a biradical electronic structure similar to previously reported 2. Magnetic exchange coupling constants in the range J = -94 to -212 cm(-1) were fit to the data for 2-9 to describe the energy of antiferromagnetic interaction between ligand radicals assuming a spin Hamiltonian of the form Ĥ = -2JŜ(L(1))·Ŝ(L(2)). The strongest coupling occurs when the angle between the ligand planes is smallest, presumably to afford good overlap with the Al-X σ* orbital. Electrochemical properties of the complexes were probed using cyclic voltammetry and each of 3-9 displayed a reversible two-electron reduction and two quasi-reversible one-electron oxidation processes. The energy of the ligand based redox processes for 2-9 differ by

  13. CORRELATION OF THE GLASS TRANSITION TEMPERATURE OF PLASTICIZED PVC USING A LATTICE FLUID MODEL

    Science.gov (United States)

    A model has been developed to describe the composition dependence of the glass transition temperature (Tg) of polyvinyl chloride (PVC) + plasticizer mixtures. The model is based on Sanchez-Lacombe equation of state and the Gibbs-Di Marzio criterion, which states that th...

  14. Composition Dependence of the Na(+) Ion Conductivity in 0.5Na2S + 0.5[xGeS2 + (1 - x)PS5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect.

    Science.gov (United States)

    Martin, Steve W; Bischoff, Christian; Schuller, Katherine

    2015-12-24

    A negative mixed glass former effect (MGFE) in the Na(+) ion conductivity of glass has been found in 0.5Na2S + 0.5[xGeS2 + (1 - x)PS5/2] glasses where the Na(+) ion conductivity is significantly smaller for all of the ternary glasses than either of the binary end-member glasses. The minimum conductivity of ∼0.4 × 10(-6) (Ω cm)(-1) at 25 °C occurs for the x = 0.7 glass. Prior to this observation, the alkali ion conductivity of sulfide glasses at constant alkali concentration, but variable ratio of one glass former for another (x) ternary mixed glass former (MGF) glasses, has always produced a positive MGFE in the alkali ion conductivity; that is, the ternary glasses have always had higher ion conductivities that either of the end-member binary glasses. While the Na(+) ion conductivity exhibits a single global minimum value, the conductivity activation energy exhibits a bimodal double maximum at x ≈ 0.4 and x ≈ 0.7. The modified Christensen-Martin-Anderson-Stuart (CMAS) model of the activation energies reveals the origin of the negative MGFE to be due to an increase in the dielectric stiffness (a decrease in relative dielectric permittivity) of these glasses. When coupled with an increase in the average Na(+) ion jump distance and a slight increase in the mechanical stiffness of the glass, this causes the activation energy to go through maximum values and thereby produce the negative MGFE. The double maximum in the conductivity activation energy is coincident with double maximums in CMAS calculated strain, ΔES, and Coulombic, ΔEC, activation energies. In these ternary glasses, the increase in the dielectric stiffness of the glass arises from a negative deviation of the limiting high frequency dielectric permittivity as compared to the binary end-member glasses. While the CMAS calculated total activation energies ΔEact = ΔES + ΔEC are found to reproduce the overall shape of the composition dependence of the measured ΔEact values, they are consistently

  15. A numerical model for bird strike on sidewall structure of an aircraft nose

    Directory of Open Access Journals (Sweden)

    Liu Jun

    2014-06-01

    Full Text Available In order to examine the potential of using the coupled smooth particles hydrodynamic (SPH and finite element (FE method to predict the dynamic responses of aircraft structures in bird strike events, bird-strike tests on the sidewall structure of an aircraft nose are carried out and numerically simulated. The bird is modeled with SPH and described by the Murnaghan equation of state, while the structure is modeled with finite elements. A coupled SPH–FE method is developed to simulate the bird-strike tests and a numerical model is established using a commercial software PAM-CRASH. The bird model shows no signs of instability and correctly modeled the break-up of the bird into particles. Finally the dynamic response such as strains in the skin is simulated and compared with test results, and the simulated deformation and fracture process of the sidewall structure is compared with images recorded by a high speed camera. Good agreement between the simulation results and test data indicates that the coupled SPH–FE method can provide a very powerful tool in predicting the dynamic responses of aircraft structures in events of bird strike.

  16. A new 6-part collisional model of the Main Asteroid Belt

    Science.gov (United States)

    Broz, Miroslav; Cibulkova, H.

    2013-10-01

    In this work, we constructed a new model for the collisional evolution of the Main Asteroid Belt. Our goals are to test the scaling law from the work of Benz & Asphaug (1999) and ascertain if it can be used for the whole belt. We want to find initial size-frequency distributions (SFDs) for the considered six parts of the belt, and to verify if the number of asteroid families created during the simulation matches the number of observed families as well. We used new observational data from the WISE satellite (Masiero et al., 2011) to construct the observed SFDs. We simulated mutual collisions of asteroids with a modified Boulder code (Morbidelli et al., 2009), in which the results of hydrodynamic (SPH) simulations from the work of Durda et al. (2007) are included. Because material characteristics can affect breakups, we created two models - for monolithic asteroids and for rubble-piles (Benavidez et al., 2012). To explain the observed SFDs in the size range D = 1 to 10 km we have to also account for dynamical depletion due to the Yarkovsky effect. Our work may also serve as a motivation for further SPH simulations of disruptions of smaller targets (parent body size of the order of 1 km). The work of MB was supported by grant GACR 13-013085 of the Czech Science Foundation and the Research Programme MSM0021620860 of the Czech Ministry of Education.

  17. Development and initial validation of a novel smoothed-particle hydrodynamics-based simulation model of trabecular bone penetration by metallic implants.

    Science.gov (United States)

    Kulper, Sloan A; Fang, Christian X; Ren, Xiaodan; Guo, Margaret; Sze, Kam Y; Leung, Frankie K L; Lu, William W

    2018-04-01

    A novel computational model of implant migration in trabecular bone was developed using smoothed-particle hydrodynamics (SPH), and an initial validation was performed via correlation with experimental data. Six fresh-frozen human cadaveric specimens measuring 10 × 10 × 20 mm were extracted from the proximal femurs of female donors (mean age of 82 years, range 75-90, BV/TV ratios between 17.88% and 30.49%). These specimens were then penetrated under axial loading to a depth of 10 mm with 5 mm diameter cylindrical indenters bearing either flat or sharp/conical tip designs similar to blunt and self-tapping cancellous screws, assigned in a random manner. SPH models were constructed based on microCT scans (17.33 µm) of the cadaveric specimens. Two initial specimens were used for calibration of material model parameters. The remaining four specimens were then simulated in silico using identical material model parameters. Peak forces varied between 92.0 and 365.0 N in the experiments, and 115.5-352.2 N in the SPH simulations. The concordance correlation coefficient between experimental and simulated pairs was 0.888, with a 95%CI of 0.8832-0.8926, a Pearson ρ (precision) value of 0.9396, and a bias correction factor Cb (accuracy) value of 0.945. Patterns of bone compaction were qualitatively similar; both experimental and simulated flat-tipped indenters produced dense regions of compacted material adjacent to the advancing face of the indenter, while sharp-tipped indenters deposited compacted material along their peripheries. Simulations based on SPH can produce accurate predictions of trabecular bone penetration that are useful for characterizing implant performance under high-strain loading conditions. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1114-1123, 2018. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  18. Chemical composition dependence of exposure buildup factors for some polymers

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Tejbir [Department of Physics, S.D.D.I.E.T., Barwala, District Panchkula, Haryana 134 118 (India)], E-mail: tejbir.s@rediffmail.com; Kumar, Naresh [Department of Physics, Lovely Professional University, Phagwara 144 402 (India)], E-mail: naresh20dhiman@yahoo.com; Singh, Parjit S. [Department of Physics, Punjabi University, Patiala 147 002 (India)], E-mail: dr_parjit@hotmail.com

    2009-01-15

    Exposure buildup factors for some polymers such as poly-acrylo-nitrile (PAN), poly-methyl-acrylate (PMA), poly-vinyl-chloride (PVC), synthetic rubber (SR), tetra-fluro-ethylene (Teflon) have been computed using the G.P. fitting method in the energy range of 0.015-15.0 MeV, up to the penetration of 40 mean free paths (mfp). The variation of exposure buildup factors for all the selected polymers with incident photon energy at the fixed penetration depths has been studied, mainly emphasizing on chemical composition (equivalent atomic number) of the selected polymers. It has been observed that for the lower penetration depths (below 10 mfp), the exposure buildup factor decreases with the increase in equivalent atomic number of the selected polymers at all the incident photon energies. However, at the penetration depth of 10 mfp and incident photon energy above 3 MeV, the exposure buildup factor becomes almost independent of the equivalent atomic number of the selected polymers. Further, above the fixed penetration depth of 15 mfp of the selected polymers and above the incident photon energy of 3 MeV, reversal in the trend has been observed, i.e., the exposure buildup factor increases with the increase in equivalent atomic number.

  19. Chemical composition dependence of exposure buildup factors for some polymers

    International Nuclear Information System (INIS)

    Singh, Tejbir; Kumar, Naresh; Singh, Parjit S.

    2009-01-01

    Exposure buildup factors for some polymers such as poly-acrylo-nitrile (PAN), poly-methyl-acrylate (PMA), poly-vinyl-chloride (PVC), synthetic rubber (SR), tetra-fluro-ethylene (Teflon) have been computed using the G.P. fitting method in the energy range of 0.015-15.0 MeV, up to the penetration of 40 mean free paths (mfp). The variation of exposure buildup factors for all the selected polymers with incident photon energy at the fixed penetration depths has been studied, mainly emphasizing on chemical composition (equivalent atomic number) of the selected polymers. It has been observed that for the lower penetration depths (below 10 mfp), the exposure buildup factor decreases with the increase in equivalent atomic number of the selected polymers at all the incident photon energies. However, at the penetration depth of 10 mfp and incident photon energy above 3 MeV, the exposure buildup factor becomes almost independent of the equivalent atomic number of the selected polymers. Further, above the fixed penetration depth of 15 mfp of the selected polymers and above the incident photon energy of 3 MeV, reversal in the trend has been observed, i.e., the exposure buildup factor increases with the increase in equivalent atomic number

  20. Composition dependence of radiation induced patterns in non miscible alloys

    OpenAIRE

    Simeone, D.; Pontikis, V.; Luneville, L.

    2018-01-01

    We present a theoretical approach exhaustively predicting the variety of steady-state shapes emerging under irradiation in thermodynamically unstable binary mixtures. We show that stripes or honeycomb structures are controlled not only by the two classical irradiation parameters: the irradiation flux and the temperature, but also by the nominal composition of the mixture. A rationale is thereby established for the results found in the literature. Moreover, the present developments lead to a s...

  1. HYSSOP COMPOSITION DEPENDING ON AGE AND PLANTS DEVELOPMENT PHASES

    Directory of Open Access Journals (Sweden)

    L. A. Kotyuk

    2015-10-01

    Full Text Available The aim of the paper is to research biochemical composition of Hyssopus officinalis L. (Lamiaceae in relation to plant age and phenological growth stage under conditions of Ukrainian Polissya, bin order to determine the optimal harvest dates of the herbal material and its application spheres. The raw material samples under analysis were cut at various growth stages: the vegetative, budding, blooming, ripening stages. To study the hyssop oil composition, areal parts of H. officinalis were used. The composition analysis was aimed at determining absolute dry matter (by drying samples at 105 °C up to the constant mass, “crude” cellulose, amounts of protein, fats, calcium, potassium, phosphorus, ascorbic acid, carotene, discernible sugars and tannins and essential oil. The present study has proved that in the plant ontogenesis the amount of essential oil, obtained from H. officinalis areal parts, does not markedly decrease: volatile oil yield in plants of the first, second and third years of life amounted to 1.007%, 0.75% and 0.71% respectively. The composition of volatile oil in the plants of the first year of life reveals 46 components, of which pinocampone (53.73%, isopinocampone (4.66% myrtenol (9.35% and camphor (3.86% prevailed. In H. officinalis volatile oil of the third year 30 components were identified, the prevailing of which were isopinocampone (44.43%, pinocampone (35.49%, myrtenol (5.26%, germacrene D (3.15%, pulegone (2.93% and bicyclogermacrene (1.35%. We could observe the change in the quantitative and qualitative composition of H. officinalis volatile oil throughout the entire vegetation period. Thus, in the phase of vegetative growth one can identify 25 compounds, the most predominant being elemol (33.25%, germacren D (21.59% and bicyclogermacrene (15.78%. In the phase of blossoming 30 components can be identified, a high amount of isopinocampone and pinocampone (44.43% and 35.49% and somewhat lover amount of myrtenol (5.26%, pulegone (2.93% and bicyclogermacrene (1.35% can be noted. During the fruit-bearing period 21 compounds with the prevalence of elemol (44.46%, bicyclogermarcren (10.30%, germacren D (5.86%, spatulenol (4.36%, β-eudesmol (4.34%, α-eudesmol (4.04% and γ-eudesmol (3.92% can be identified. H. officinalis raw material from one-year-old plants is to be used in food industry, whereas plants collected at the blooming stage are preferable for cosmetics and perfumery.

  2. Composition dependent non-ideality in aqueous binary mixtures as ...

    Indian Academy of Sciences (India)

    understanding in the molecular level. The origin of the .... analysis of inherent structures (IS) of binary mixture in ... liminary molecular dynamics simulation to equilibrate the system at ..... the clusters gradually increase as the concentration of.

  3. Composition dependent thermal annealing behaviour of ion tracks in apatite

    Energy Technology Data Exchange (ETDEWEB)

    Nadzri, A., E-mail: allina.nadzri@anu.edu.au [Department of Electronic Materials Engineering, Research School of Physics and Engineering, Australian National University, Canberra, ACT 2601 (Australia); Schauries, D.; Mota-Santiago, P.; Muradoglu, S. [Department of Electronic Materials Engineering, Research School of Physics and Engineering, Australian National University, Canberra, ACT 2601 (Australia); Trautmann, C. [GSI Helmholtz Centre for Heavy Ion Research, Planckstrasse 1, 64291 Darmstadt (Germany); Technische Universität Darmstadt, 64287 Darmstadt (Germany); Gleadow, A.J.W. [School of Earth Science, University of Melbourne, Melbourne, VIC 3010 (Australia); Hawley, A. [Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168 (Australia); Kluth, P. [Department of Electronic Materials Engineering, Research School of Physics and Engineering, Australian National University, Canberra, ACT 2601 (Australia)

    2016-07-15

    Natural apatite samples with different F/Cl content from a variety of geological locations (Durango, Mexico; Mud Tank, Australia; and Snarum, Norway) were irradiated with swift heavy ions to simulate fission tracks. The annealing kinetics of the resulting ion tracks was investigated using synchrotron-based small-angle X-ray scattering (SAXS) combined with ex situ annealing. The activation energies for track recrystallization were extracted and consistent with previous studies using track-etching, tracks in the chlorine-rich Snarum apatite are more resistant to annealing than in the other compositions.

  4. Towards new generation spectroscopic models of cool stars

    Science.gov (United States)

    Bergemann, Maria

    2018-06-01

    Abstract: Spectroscopy is a unique tool to determine the physical parameters of stars. Knowledge of stellar chemical abundances, masses, and ages is the key to understanding the evolution of their host populations. I will focus on the current outstanding problems in spectroscopy of cool stars, which are the most useful objects in studies of our local Galactic neighborhood but also very distant systems, like faint dwarf Spheroidal galaxies. Among the most debated issues is to what extent can we trust the techniques, which rely on the classical assumptions of local thermodynamic equilibrium and hydrostatic balance. I will summarise the ongoing efforts to improve the models of cool stars, with the emphasis on NLTE and 3D modelling. I will then discuss how these exciting observations impact our knowledge of abundances in the Milky Way and in dSph systems, and present outlook for the future studies.

  5. Intracerebroventricular delivery of glucocerebrosidase reduces substrates and increases lifespan in a mouse model of neuronopathic Gaucher disease.

    Science.gov (United States)

    Cabrera-Salazar, M A; Bercury, S D; Ziegler, R J; Marshall, J; Hodges, B L; Chuang, W-L; Pacheco, J; Li, L; Cheng, S H; Scheule, R K

    2010-10-01

    Gaucher disease is caused by a deficit in the enzyme glucocerebrosidase. As a consequence, degradation of the glycolipids glucosylceramide (GluCer) and glucosylsphingosine (GluSph) is impaired, and their subsequent buildup can lead to significant pathology and early death. Type 1 Gaucher patients can be treated successfully with intravenous replacement enzyme, but this enzyme does not reach the CNS and thus does not ameliorate the neurological involvement in types 2 and 3 Gaucher disease. As one potential approach to treating these latter patients, we have evaluated intracerebroventricular (ICV) administration of recombinant human glucocerebrosidase (rhGC) in a mouse model of neuronopathic Gaucher disease. ICV administration resulted in enzyme distribution throughout the brain and alleviated neuropathology in multiple brain regions of this mouse model. Treatment also resulted in dose-dependent decreases in GluCer and GluSph and significantly extended survival. To evaluate the potential of continuous enzyme delivery, a group of animals was treated ICV with an adeno-associated viral vector encoding hGC and resulted in a further extension of survival. These data suggest that ICV administration of rhGC may represent a potential therapeutic approach for type 2/3 Gaucher patients. Preclinical evaluation in larger animals will be needed to ascertain the translatability of this approach to the clinic. Copyright © 2010 Elsevier Inc. All rights reserved.

  6. Effects of snow grain shape on climate simulations: sensitivity tests with the Norwegian Earth System Model

    Directory of Open Access Journals (Sweden)

    P. Räisänen

    2017-12-01

    Full Text Available Snow consists of non-spherical grains of various shapes and sizes. Still, in radiative transfer calculations, snow grains are often treated as spherical. This also applies to the computation of snow albedo in the Snow, Ice, and Aerosol Radiation (SNICAR model and in the Los Alamos sea ice model, version 4 (CICE4, both of which are employed in the Community Earth System Model and in the Norwegian Earth System Model (NorESM. In this study, we evaluate the effect of snow grain shape on climate simulated by NorESM in a slab ocean configuration of the model. An experiment with spherical snow grains (SPH is compared with another (NONSPH in which the snow shortwave single-scattering properties are based on a combination of three non-spherical snow grain shapes optimized using measurements of angular scattering by blowing snow. The key difference between these treatments is that the asymmetry parameter is smaller in the non-spherical case (0.77–0.78 in the visible region than in the spherical case ( ≈  0.89. Therefore, for the same effective snow grain size (or equivalently, the same specific projected area, the snow broadband albedo is higher when assuming non-spherical rather than spherical snow grains, typically by 0.02–0.03. Considering the spherical case as the baseline, this results in an instantaneous negative change in net shortwave radiation with a global-mean top-of-the-model value of ca. −0.22 W m−2. Although this global-mean radiative effect is rather modest, the impacts on the climate simulated by NorESM are substantial. The global annual-mean 2 m air temperature in NONSPH is 1.17 K lower than in SPH, with substantially larger differences at high latitudes. The climatic response is amplified by strong snow and sea ice feedbacks. It is further demonstrated that the effect of snow grain shape could be largely offset by adjusting the snow grain size. When assuming non-spherical snow grains with the parameterized grain

  7. Effects of snow grain shape on climate simulations: sensitivity tests with the Norwegian Earth System Model

    Science.gov (United States)

    Räisänen, Petri; Makkonen, Risto; Kirkevåg, Alf; Debernard, Jens B.

    2017-12-01

    Snow consists of non-spherical grains of various shapes and sizes. Still, in radiative transfer calculations, snow grains are often treated as spherical. This also applies to the computation of snow albedo in the Snow, Ice, and Aerosol Radiation (SNICAR) model and in the Los Alamos sea ice model, version 4 (CICE4), both of which are employed in the Community Earth System Model and in the Norwegian Earth System Model (NorESM). In this study, we evaluate the effect of snow grain shape on climate simulated by NorESM in a slab ocean configuration of the model. An experiment with spherical snow grains (SPH) is compared with another (NONSPH) in which the snow shortwave single-scattering properties are based on a combination of three non-spherical snow grain shapes optimized using measurements of angular scattering by blowing snow. The key difference between these treatments is that the asymmetry parameter is smaller in the non-spherical case (0.77-0.78 in the visible region) than in the spherical case ( ≈ 0.89). Therefore, for the same effective snow grain size (or equivalently, the same specific projected area), the snow broadband albedo is higher when assuming non-spherical rather than spherical snow grains, typically by 0.02-0.03. Considering the spherical case as the baseline, this results in an instantaneous negative change in net shortwave radiation with a global-mean top-of-the-model value of ca. -0.22 W m-2. Although this global-mean radiative effect is rather modest, the impacts on the climate simulated by NorESM are substantial. The global annual-mean 2 m air temperature in NONSPH is 1.17 K lower than in SPH, with substantially larger differences at high latitudes. The climatic response is amplified by strong snow and sea ice feedbacks. It is further demonstrated that the effect of snow grain shape could be largely offset by adjusting the snow grain size. When assuming non-spherical snow grains with the parameterized grain size increased by ca. 70 %, the

  8. Modeling the Compression of Merged Compact Toroids by Multiple Plasma Jets

    Science.gov (United States)

    Thio, Y. C. Francis; Knapp, Charles E.; Kirkpatrick, Ron; Rodgers, Stephen L. (Technical Monitor)

    2000-01-01

    A fusion propulsion scheme has been proposed that makes use of the merging of a spherical distribution of plasma jets to dynamically form a gaseous liner. The gaseous liner is used to implode a magnetized target to produce the fusion reaction in a standoff manner. In this paper, the merging of the plasma jets to form the gaseous liner is investigated numerically. The Los Alamos SPHINX code, based on the smoothed particle hydrodynamics method is used to model the interaction of the jets. 2-D and 3-D simulations have been performed to study the characteristics of the resulting flow when these jets collide. The results show that the jets merge to form a plasma liner that converge radially which may be used to compress the central plasma to fusion conditions. Details of the computational model and the SPH numerical methods will be presented together with the numerical results.

  9. Investigation and computer modeling of radiation and thermal decomposition of polystyrene scintillators

    Science.gov (United States)

    Sakhno, Tamara V.; Pustovit, Sergey V.; Borisenko, Artem Y.; Senchishin, Vitaliy G.; Barashkov, Nikolay N.

    2003-12-01

    This paper is devoted to the investigation and computer modeling of radiation and thermal decomposition of luminescent polystyrene compositions. It has been shown, that the stability of the optical properties of luminescent polymer composition depends on its material structure. On the basis of quantum-chemical calculation has been obtained the possible products of PS gamma-radiolysis and the effect of formation of fragments with conjugated double bonds and products with quinone structure has been investigated.

  10. Composition dependent room temperature structure, electric and magnetic properties in magnetoelectric Pb(Fe{sub 1/2}Nb{sub 1/2})O{sub 3}−Pb(Fe{sub 2/3}W{sub 1/3})O{sub 3} solid-solutions

    Energy Technology Data Exchange (ETDEWEB)

    Matteppanavar, Shidaling [Department of Physics, Jnanabharathi Campus, Bangalore University, Bangalore, 560056 (India); Rayaprol, Sudhindra [UGC-DAE-Consortium for Scientific Research, Mumbai Centre, B A R C Campus, Mumbai, 400085 (India); Angadi, Basavaraj, E-mail: brangadi@gmail.com [Department of Physics, Jnanabharathi Campus, Bangalore University, Bangalore, 560056 (India); Sahoo, Balaram [Materials Research Centre, Indian Institute of Science, Bangalore, 560012 (India)

    2016-08-25

    Fe in 3+ state and on increasing x, the spectra changes from doublet to sextet. The ferroelectric (P-E) study confirms the existence of ferroelectric ordering with leaky behaviour. The reasonable ferroelectric loops with antiferromagnetic properties indicate samples with x = 0.2–0.6 show good magnetoelectric characteristics and may find applications in multiferroics. - Highlights: • RT neutron diffraction studies on PFN{sub 1−x}-PFW{sub x} (x = 0.0 to1.0) multiferroics. • Composition dependent changes in nuclear and magnetic structure. • On increasing x, system exhibit a gradual phase transition from monoclinic to cubic. • Supporting Raman, magnetic, Mössbauer and ferroelectric studies. • Augmentation of Néel temperature (T{sub N}) from 155 K to 350 K on increasing x.

  11. Recollements de morceaux de cyclides de Dupin pour la modélisation et la reconstruction 3D : étude dans l'espace des sphères

    OpenAIRE

    Druoton , Lucie

    2013-01-01

    The thesis deals with the blending of canal surfaces in geometric modeling using pieces of Dupin Cyclides. We try to solve a problem of reconstructing real parts manufactured and controlled by the CEA of Valduc. Using the space of spheres in which we can manipulate both points, spheres and canal surfaces, we simplify some problems. This space is represented by a 4-dimensional quadric in a 5-dimensional space, equipped with the Lorentz form, it is the Lorentz space. In the space of spheres, pr...

  12. A six-part collisional model of the main asteroid belt

    Science.gov (United States)

    Cibulková, H.; Brož, M.; Benavidez, P. G.

    2014-10-01

    In this work, we construct a new model for the collisional evolution of the main asteroid belt. Our goals are to test the scaling law of Benz and Asphaug (Benz, W., Asphaug, E. [1999]. Icarus, 142, 5-20) and ascertain if it can be used for the whole belt. We want to find initial size-frequency distributions (SFDs) for the considered six parts of the belt (inner, middle, “pristine”, outer, Cybele zone, high-inclination region) and to verify if the number of synthetic asteroid families created during the simulation matches the number of observed families as well. We used new observational data from the WISE satellite (Masiero et al., 2011) to construct the observed SFDs. We simulate mutual collisions of asteroids with a modified version of the Boulder code (Morbidelli, A., et al. [2009]. Icarus, 204, 558-573), where the results of hydrodynamic (SPH) simulations of Durda et al. (Durda, D.D., et al. [2007]. Icarus, 498-516) and Benavidez et al. (Benavidez, P.G., et al. [2012]. 219, 57-76) are included. Because material characteristics can significantly affect breakups, we created two models - for monolithic asteroids and for rubble-piles. To explain the observed SFDs in the size range D=1 to 10 km we have to also account for dynamical depletion due to the Yarkovsky effect. The assumption of (purely) rubble-pile asteroids leads to a significantly worse fit to the observed data, so that we can conclude that majority of main-belt asteroids are rather monolithic. Our work may also serve as a motivation for further SPH simulations of disruptions of smaller targets (with a parent body size of the order of 1 km).

  13. Effects of snow grain non-sphericity on climate simulations: Sensitivity tests with the NorESM model

    Science.gov (United States)

    Räisänen, Petri; Makkonen, Risto; Kirkevåg, Alf

    2017-04-01

    Snow grains are non-spherical and generally irregular in shape. Still, in radiative transfer calculations, they are often treated as spheres. This also applies to the computation of snow albedo in the Snow, Ice, and Aerosol Radiation (SNICAR) model and in the Los Alamos sea ice model, version 4 (CICE4), both of which are employed in the Community Earth System Model and in the Norwegian Earth System Model (NorESM). In this work, we evaluate the effect of snow grain shape on climate simulated by NorESM in a slab ocean configuration of the model. An experiment with spherical snow grains (SPH) is compared with another (NONSPH) in which the snow shortwave single-scattering properties are based on a combination of non-spherical snow grain shapes optimized using measurements of angular scattering by blowing snow. The key difference between these treatments is that the asymmetry parameter is smaller in the non-spherical case (≈ 0.78 in the visible region) than in the spherical case (≈ 0.89). Therefore, for a given snow grain size, the use of non-spherical snow grains yields a higher snow broadband albedo, typically by ≈0.03. Consequently, considering the spherical case as the baseline, the use of non-spherical snow grains results in a negative radiative forcing (RF), with a global-mean top-of-the-model value of ≈ -0.22 W m-2. Although this global-mean RF is modest, it has a rather substantial impact on the climate simulated by NoRESM. In particular, the global annual-mean 2-m air temperature in NONSPH is 1.17 K lower than in SPH, with substantially larger differences at high latitudes. The climatic response is amplified by strong snow and sea ice feedbacks. It is further found that the difference between NONSPH and SPH could be largely "tuned away" by adjusting the snow grain size in the NONSPH experiment by ≈ 70%. The impact of snow grain shape on the radiative effect (RE) of absorbing aerosols in snow (black carbon and mineral dust) is also discussed. For an

  14. A particle-based model to simulate the micromechanics of single-plant parenchyma cells and aggregates

    International Nuclear Information System (INIS)

    Van Liedekerke, P; Tijskens, E; Smeedts, B; Ramon, H; Ghysels, P; Samaey, G; Roose, D

    2010-01-01

    This paper is concerned with addressing how plant tissue mechanics is related to the micromechanics of cells. To this end, we propose a mesh-free particle method to simulate the mechanics of both individual plant cells (parenchyma) and cell aggregates in response to external stresses. The model considers two important features in the plant cell: (1) the cell protoplasm, the interior liquid phase inducing hydrodynamic phenomena, and (2) the cell wall material, a viscoelastic solid material that contains the protoplasm. In this particle framework, the cell fluid is modeled by smoothed particle hydrodynamics (SPH), a mesh-free method typically used to address problems with gas and fluid dynamics. In the solid phase (cell wall) on the other hand, the particles are connected by pairwise interactions holding them together and preventing the fluid to penetrate the cell wall. The cell wall hydraulic conductivity (permeability) is built in as well through the SPH formulation. Although this model is also meant to be able to deal with dynamic and even violent situations (leading to cell wall rupture or cell–cell debonding), we have concentrated on quasi-static conditions. The results of single-cell compression simulations show that the conclusions found by analytical models and experiments can be reproduced at least qualitatively. Relaxation tests revealed that plant cells have short relaxation times (1 µs–10 µs) compared to mammalian cells. Simulations performed on cell aggregates indicated an influence of the cellular organization to the tissue response, as was also observed in experiments done on tissues with a similar structure

  15. Modelling

    CERN Document Server

    Spädtke, P

    2013-01-01

    Modeling of technical machines became a standard technique since computer became powerful enough to handle the amount of data relevant to the specific system. Simulation of an existing physical device requires the knowledge of all relevant quantities. Electric fields given by the surrounding boundary as well as magnetic fields caused by coils or permanent magnets have to be known. Internal sources for both fields are sometimes taken into account, such as space charge forces or the internal magnetic field of a moving bunch of charged particles. Used solver routines are briefly described and some bench-marking is shown to estimate necessary computing times for different problems. Different types of charged particle sources will be shown together with a suitable model to describe the physical model. Electron guns are covered as well as different ion sources (volume ion sources, laser ion sources, Penning ion sources, electron resonance ion sources, and H$^-$-sources) together with some remarks on beam transport.

  16. Visualization of big SPH simulations via compressed octree grids

    KAUST Repository

    Reichl, Florian; Treib, Marc; Westermann, Rudiger

    2013-01-01

    Interactive and high-quality visualization of spatially continuous 3D fields represented by scattered distributions of billions of particles is challenging. One common approach is to resample the quantities carried by the particles to a regular grid

  17. Visualizing SPH Cataclysmic Variable Accretion Disk Simulations with Blender

    Science.gov (United States)

    Kent, Brian R.; Wood, Matthew A.

    2015-01-01

    We present innovative ways to use Blender, a 3D graphics package, to visualize smoothed particle hydrodynamics particle data of cataclysmic variable accretion disks. We focus on the methods of shape key data constructs to increasedata i/o and manipulation speed. The implementation of the methods outlined allow for compositing of the various visualization layers into a final animation. The viewing of the disk in 3D from different angles can allow for a visual analysisof the physical system and orbits. The techniques have a wide ranging set of applications in astronomical visualization,including both observation and theoretical data.

  18. Gas stripping in galaxy clusters: a new SPH simulation approach

    Czech Academy of Sciences Publication Activity Database

    Jáchym, Pavel; Palouš, Jan; Köppen, J.; Combes, F.

    2007-01-01

    Roč. 472, č. 1 (2007), s. 5-20 ISSN 0004-6361 R&D Projects: GA MŠk(CZ) LC06014 Institutional research plan: CEZ:AV0Z10030501 Keywords : galaxie s * interactions * intergalactic medium Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.259, year: 2007

  19. Simulation of viscous melt drop crystallization by the SPH method

    Directory of Open Access Journals (Sweden)

    Gerasimov Alexander V.

    2017-01-01

    Full Text Available Heat and mass transfer during absorption on a film of lithium bromide water solution flowing by a cooled wall in the steam atmosphere is numerically investigated in this paper. The self-similar solutions are using as the initial conditions for solving the problem beyond the entrance region. The key criteria characterizing heat and mass transfer in the film absorption with uniform velocity profile and with a constant thickness have been determined.

  20. Visualization of big SPH simulations via compressed octree grids

    KAUST Repository

    Reichl, Florian

    2013-10-01

    Interactive and high-quality visualization of spatially continuous 3D fields represented by scattered distributions of billions of particles is challenging. One common approach is to resample the quantities carried by the particles to a regular grid and to render the grid via volume ray-casting. In large-scale applications such as astrophysics, however, the required grid resolution can easily exceed 10K samples per spatial dimension, letting resampling approaches appear unfeasible. In this paper we demonstrate that even in these extreme cases such approaches perform surprisingly well, both in terms of memory requirement and rendering performance. We resample the particle data to a multiresolution multiblock grid, where the resolution of the blocks is dictated by the particle distribution. From this structure we build an octree grid, and we then compress each block in the hierarchy at no visual loss using wavelet-based compression. Since decompression can be performed on the GPU, it can be integrated effectively into GPU-based out-of-core volume ray-casting. We compare our approach to the perspective grid approach which resamples at run-time into a view-aligned grid. We demonstrate considerably faster rendering times at high quality, at only a moderate memory increase compared to the raw particle set. © 2013 IEEE.

  1. Atomistic models of Cu diffusion in CuInSe2 under variations in composition

    Science.gov (United States)

    Sommer, David E.; Dunham, Scott T.

    2018-03-01

    We construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe2.

  2. Coupling of smooth particle hydrodynamics with the finite element method

    International Nuclear Information System (INIS)

    Attaway, S.W.; Heinstein, M.W.; Swegle, J.W.

    1994-01-01

    A gridless technique called smooth particle hydrodynamics (SPH) has been coupled with the transient dynamics finite element code ppercase[pronto]. In this paper, a new weighted residual derivation for the SPH method will be presented, and the methods used to embed SPH within ppercase[pronto] will be outlined. Example SPH ppercase[pronto] calculations will also be presented. One major difficulty associated with the Lagrangian finite element method is modeling materials with no shear strength; for example, gases, fluids and explosive biproducts. Typically, these materials can be modeled for only a short time with a Lagrangian finite element code. Large distortions cause tangling of the mesh, which will eventually lead to numerical difficulties, such as negative element area or ''bow tie'' elements. Remeshing will allow the problem to continue for a short while, but the large distortions can prevent a complete analysis. SPH is a gridless Lagrangian technique. Requiring no mesh, SPH has the potential to model material fracture, large shear flows and penetration. SPH computes the strain rate and the stress divergence based on the nearest neighbors of a particle, which are determined using an efficient particle-sorting technique. Embedding the SPH method within ppercase[pronto] allows part of the problem to be modeled with quadrilateral finite elements, while other parts are modeled with the gridless SPH method. SPH elements are coupled to the quadrilateral elements through a contact-like algorithm. ((orig.))

  3. Modeling of multiphase flow with solidification and chemical reaction in materials processing

    Science.gov (United States)

    Wei, Jiuan

    moving the side insulation layer upward. It is possible to produce high quality crystal with a good combination of heating and cooling. SiC based ceramic materials fabricated by polymer pyrolysis and synthesis becomes a promising candidate for nuclear applications. To obtain high uniformity of microstructure/concentration fuel without crack at high operating temperature, it is important to understand transport phenomena in material processing at different scale levels. In our prior work, a system level model based on reactive porous media theory was developed to account for the pyrolysis process in uranium-ceramic nuclear fabrication In this thesis, a particle level mesoscopic model based on the Smoothed Particle Hydrodynamics (SPH) is developed for modeling the synthesis of filler U3O8 particles and SiC matrix. The system-level model provides the thermal boundary conditions needed in the particle level simulation. The evolution of particle concentration and structure as well as composition of composite produced will be investigated. Since the process temperature and heat flux play the important roles in material quality and uniformity, the effects of heating rate at different directions, filler particle size and distribution on uniformity and microstructure of the final product are investigated. Uncertainty issue is also discussed. For the multiphase flow with directional solidification, a system level based on FVM is established. In this model, melt convection, temperature distribution, phase change and solidification interface can be investigated. For the multiphase flow with chemical reaction, a particle level model based on SPH method is developed to describe the pyrolysis and synthesis process of uranium-ceramic nuclear fuel. Due to its mesh-free nature, SPH can easily handle the problems with multi phases and components, large deformation, chemical reactions and even solidifications. A multi-scale meso-macroscopic approach, which combine a mesoscopic model based

  4. Star-forming galaxy models: Blending star formation into TREESPH

    Science.gov (United States)

    Mihos, J. Christopher; Hernquist, Lars

    1994-01-01

    We have incorporated star-formation algorithms into a hybrid N-body/smoothed particle hydrodynamics code (TREESPH) in order to describe the star forming properties of disk galaxies over timescales of a few billion years. The models employ a Schmidt law of index n approximately 1.5 to calculate star-formation rates, and explicitly include the energy and metallicity feedback into the Interstellar Medium (ISM). Modeling the newly formed stellar population is achieved through the use of hybrid SPH/young star particles which gradually convert from gaseous to collisionless particles, avoiding the computational difficulties involved in creating new particles. The models are shown to reproduce well the star-forming properties of disk galaxies, such as the morphology, rate of star formation, and evolution of the global star-formation rate and disk gas content. As an example of the technique, we model an encounter between a disk galaxy and a small companion which gives rise to a ring galaxy reminiscent of the Cartwheel (AM 0035-35). The primary galaxy in this encounter experiences two phases of star forming activity: an initial period during the expansion of the ring, and a delayed phase as shocked material in the ring falls back into the central regions.

  5. Supermassive Black Holes and their Host Spheroids III. The Mbh-nsph Correlation

    Science.gov (United States)

    Savorgnan, Giulia A. D.

    2016-04-01

    The Sérsic {R}1/n model is the best approximation known to date for describing the light distribution of stellar spheroidal and disk components, with the Sérsic index n providing a direct measure of the central radial concentration of stars. The Sérsic index of a galaxy’s spheroidal component, nsph, has been shown to tightly correlate with the mass of the central supermassive black hole, MBH. The {M}{BH}{--}{n}{sph} correlation is also expected from other two well known scaling relations involving the spheroid luminosity, Lsph: the {L}{sph}{--}{n}{sph} and the {M}{BH}{--}{L}{sph}. Obtaining an accurate estimate of the spheroid Sérsic index requires a careful modeling of a galaxy’s light distribution and some studies have failed to recover a statistically significant {M}{BH}{--}{n}{sph} correlation. With the aim of re-investigating the {M}{BH}{--}{n}{sph} and other black hole mass scaling relations, we performed a detailed (I.e., bulge, disks, bars, spiral arms, rings, halo, nucleus, etc.) decomposition of 66 galaxies, with directly measured black hole masses, that had been imaged at 3.6 μm with Spitzer. In this paper, the third of this series, we present an analysis of the {L}{sph}{--}{n}{sph} and {M}{BH}{--}{n}{sph} diagrams. While early-type (elliptical+lenticular) and late-type (spiral) galaxies split into two separate relations in the {L}{sph}{--}{n}{sph} and {M}{BH}{--}{L}{sph} diagrams, they reunite into a single {M}{BH}\\propto {n}{sph}3.39+/- 0.15 sequence with relatively small intrinsic scatter (ɛ ≃ 0.25 {dex}). The black hole mass appears to be closely related to the spheroid central concentration of stars, which mirrors the inner gradient of the spheroid gravitational potential.

  6. Berberine reduces fibronectin expression by suppressing the S1P-S1P2 receptor pathway in experimental diabetic nephropathy models.

    Directory of Open Access Journals (Sweden)

    Kaipeng Huang

    Full Text Available The accumulation of glomerular extracellular matrix (ECM is one of the critical pathological characteristics of diabetic renal fibrosis. Fibronectin (FN is an important constituent of ECM. Our previous studies indicate that the activation of the sphingosine kinase 1 (SphK1-sphingosine 1- phosphate (S1P signaling pathway plays a key regulatory role in FN production in glomerular mesangial cells (GMCs under diabetic condition. Among the five S1P receptors, the activation of S1P2 receptor is the most abundant. Berberine (BBR treatment also effectively inhibits SphK1 activity and S1P production in the kidneys of diabetic models, thus improving renal injury. Based on these data, we further explored whether BBR could prevent FN production in GMCs under diabetic condition via the S1P2 receptor. Here, we showed that BBR significantly down-regulated the expression of S1P2 receptor in diabetic rat kidneys and GMCs exposed to high glucose (HG and simultaneously inhibited S1P2 receptor-mediated FN overproduction. Further, BBR also obviously suppressed the activation of NF-κB induced by HG, which was accompanied by reduced S1P2 receptor and FN expression. Taken together, our findings suggest that BBR reduces FN expression by acting on the S1P2 receptor in the mesangium under diabetic condition. The role of BBR in S1P2 receptor expression regulation could closely associate with its inhibitory effect on NF-κB activation.

  7. Migration of Gas in Water Saturated Clays by Coupled Hydraulic-Mechanical Model

    Directory of Open Access Journals (Sweden)

    Aliaksei Pazdniakou

    2018-01-01

    Full Text Available Understanding the gas migration in highly water saturated sedimentary rock formations is of great importance for safety of radioactive waste repositories which may use these host rocks as barrier. Recent experiments on drainage in argillite samples have demonstrated that they cannot be represented in terms of standard two-phase flow Darcy model. It has been suggested that gas flows along highly localized dilatant pathways. Due to very small pore size and the opacity of the material, it is not possible to observe this two-phase flow directly. In order to better understand the gas transport, a numerical coupled hydraulic-mechanical model at the pore scale is proposed. The model is formulated in terms of Smoothed Particle Hydrodynamics (SPH and is applied to simulate drainage within a sample reconstructed from the Focused Ion Beam (FIB images of Callovo-Oxfordian claystone. A damage model is incorporated to take into account the degradation of elastic solid properties due to local conditions, which may lead to formation of new pathways and thus to modifications of fluid transport. The influence of the damage model as well as the possible importance of rigid inclusions is demonstrated and discussed.

  8. Flow above and within granular media composed of spherical and non-spherical particles - using a 3D numerical model

    Science.gov (United States)

    Bartzke, Gerhard; Kuhlmann, Jannis; Huhn, Katrin

    2016-04-01

    The entrainment of single grains and, hence, their erosion characteristics are dependent on fluid forcing, grain size and density, but also shape variations. To quantitatively describe and capture the hydrodynamic conditions around individual grains, researchers commonly use empirical approaches such as laboratory flume tanks. Nonetheless, it is difficult with such physical experiments to measure the flow velocities in the direct vicinity or within the pore spaces of sediments, at a sufficient resolution and in a non-invasive way. As a result, the hydrodynamic conditions in the water column, at the fluid-porous interface and within pore spaces of a granular medium of various grain shapes is not yet fully understood. For that reason, there is a strong need for numerical models, since these are capable of quantifying fluid speeds within a granular medium. A 3D-SPH (Smooth Particle Hydrodynamics) numerical wave tank model was set up to provide quantitative evidence on the flow velocities in the direct vicinity and in the interior of granular beds composed of two shapes as a complementary method to the difficult task of in situ measurement. On the basis of previous successful numerical wave tank models with SPH, the model geometry was chosen in dimensions of X=2.68 [m], Y=0.48 [m], and Z=0.8 [m]. Three suites of experiments were designed with a range of particle shape models: (1) ellipsoids with the long axis oriented in the across-stream direction, (2) ellipsoids with the long axis oriented in the along-stream direction, and (3) spheres. Particle diameters ranged from 0.04 [m] to 0.08 [m]. A wave was introduced by a vertical paddle that accelerated to 0.8 [m/s] perpendicular to the granular bed. Flow measurements showed that the flow velocity values into the beds were highest when the grains were oriented across the stream direction and lowest in case when the grains were oriented parallel to the stream, indicating that the model was capable to simulate simultaneously

  9. Micromechanical modelling of shape memory alloy composites

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y.F.; Wang, X.M.; Yue, Z.F. [School of Mechanic, Civil Engineering and Architecture, Northwestern Polytechnical University, Xian, 710072 (China)

    2004-03-01

    An isothermal finite element method (FEM) model has been applied to study the behavior of two kinds of shape memory alloy (SMA) composites. For SMA-fiber reinforced normal metal composites, the FEM analysis shows that the mechanical behavior of the composites depends on the SMA volume fraction. For normal metal-fiber reinforced SMA matrix composites, the SMA phase transformation is affected by the increasing Young's modulus of the metal fiber. The phase transformation was also treated using a simple numerical analysis, which assumes that there are uniform stresses and strains distributions in the fiber and the matrix respectively. It is found that there is an obvious difference between the FEM analysis and the simple numerical assessment. Only FEM can provide reasonable predictions of phase transformations in SMA/normal metal composites. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  10. A Transient Landscape: Geospatial Analysis and Numerical Modeling of Coastal Geomorphology in the Outer Banks, North Carolina

    Science.gov (United States)

    Hardin, Eric Jon

    manual digitization lack. Furthermore, the approach can be fully implemented with standard Geographic Information System (GIS) functionality, resulting in efficiency and ease of implementation. With this approach, a raster-based implementation of the U.S. Geological Survey (USGS) storm impact scale (designed to assess storm vulnerability of barrier islands) was developed. Vulnerability of 4km of the Outer Banks to Hurricane Isabel (2003) was assessed. The demonstrated approach produced vulnerability mapping at the high resolution of the input Digital Elevation Model (DEM)---providing results at the scale needed for local management, in contrast to the USGS approach, which is designed for continental scale vulnerability assessment. However, geospatial techniques cannot fully explain the observed geomorphology. Therefore, we present the Smoothed Particle Hydrodynamics (SPH) implementation of the Sauermann model for wind-driven sand transport. The SPH implementation enables the full nonlinearity of the model to be applied to complex scenarios that are typical of coastal landscapes. Through application of the SPH model and Computational Fluid Dynamics (CFD) modeling of the windborne surface shear stress (which drives sand transport), we present the sediment flux at two study sites along the Outer Banks. Scenarios were tested that involved steady-state surface shear stress as well as scenarios with intermittent variations in the surface shear stress. Results showed that intermittency in the surface shear stress has the potential to greatly influence the resulting flux. However, the degree to which intermittency does alter the flux is highly dependent on wind characteristics and wind direction relative to the orientation of salient topographic features.

  11. Modeling for Stellar Feedback in Galaxy Formation Simulations

    Science.gov (United States)

    Núñez, Alejandro; Ostriker, Jeremiah P.; Naab, Thorsten; Oser, Ludwig; Hu, Chia-Yu; Choi, Ena

    2017-02-01

    Various heuristic approaches to model unresolved supernova (SN) feedback in galaxy formation simulations exist to reproduce the formation of spiral galaxies and the overall inefficient conversion of gas into stars. Some models, however, require resolution-dependent scalings. We present a subresolution model representing the three major phases of supernova blast wave evolution—free expansion, energy-conserving Sedov-Taylor, and momentum-conserving snowplow—with energy scalings adopted from high-resolution interstellar-medium simulations in both uniform and multiphase media. We allow for the effects of significantly enhanced SN remnant propagation in a multiphase medium with the cooling radius scaling with the hot volume fraction, {f}{hot}, as {(1-{f}{hot})}-4/5. We also include winds from young massive stars and AGB stars, Strömgren sphere gas heating by massive stars, and a mechanism that limits gas cooling that is driven by radiative recombination of dense H II regions. We present initial tests for isolated Milky Way-like systems simulated with the Gadget-based code SPHgal with improved SPH prescription. Compared to pure thermal SN input, the model significantly suppresses star formation at early epochs, with star formation extended both in time and space in better accord with observations. Compared to models with pure thermal SN feedback, the age at which half the stellar mass is assembled increases by a factor of 2.4, and the mass-loading parameter and gas outflow rate from the galactic disk increase by a factor of 2. Simulation results are converged for a variation of two orders of magnitude in particle mass in the range (1.3-130) × 104 solar masses.

  12. Models and correlations of the DEBRIS Late-Phase Melt Progression Model

    International Nuclear Information System (INIS)

    Schmidt, R.C.; Gasser, R.D.

    1997-09-01

    The DEBRIS Late Phase Melt Progression Model is an assembly of models, embodied in a computer code, which is designed to treat late-phase melt progression in dry rubble (or debris) regions that can form as a consequence of a severe core uncover accident in a commercial light water nuclear reactor. The approach is fully two-dimensional, and incorporates a porous medium modeling framework together with conservation and constitutive relationships to simulate the time-dependent evolution of such regions as various physical processes act upon the materials. The objective of the code is to accurately model these processes so that the late-phase melt progression that would occur in different hypothetical severe nuclear reactor accidents can be better understood and characterized. In this report the models and correlations incorporated and used within the current version of DEBRIS are described. These include the global conservation equations solved, heat transfer and fission heating models, melting and refreezing models (including material interactions), liquid and solid relocation models, gas flow and pressure field models, and the temperature and compositionally dependent material properties employed. The specific models described here have been used in the experiment design analysis of the Phebus FPT-4 debris-bed fission-product release experiment. An earlier DEBRIS code version was used to analyze the MP-1 and MP-2 late-phase melt progression experiments conducted at Sandia National Laboratories for the US Nuclear Regulatory Commission

  13. Composition dependence of the kinetics and mechanisms of thermal oxidation of titanium-tantalum alloys

    International Nuclear Information System (INIS)

    Park, Y.S.; Butt, D.P.

    1999-01-01

    The oxidation behavior of titanium-tantalum alloys was investigated with respective concentrations of each element ranging from 0 to 100 wt.%. Alloys were exposed to argon-20% oxygen at 800 to 1400 C. The slowest oxidation rates were observed in alloys with 5--20% Ta. The oxidation kinetics of alloys containing less than approximately 40% Ta were approximately parabolic. Pure Ta exhibited nearly linear kinetics. Alloys containing 50% or more Ta exhibited paralinear kinetics. The activation energies for oxidation ranged between 232 kJ/mole for pure Ti and 119 kJ/mole for pure Ta, with the activation energies of the alloys falling between these values and generally decreasing with increasing Ta content. The activation energies for oxidation of the end members, Ti and Ta, agree well with published values for the activation energies for diffusion of oxygen in α-Ti and Ta. Scale formation in the alloys was found to be complex exhibiting various layers of Ti-, Ta-, and TiTa-oxides. The outermost layer of the oxidized alloys was predominantly rutile (TiO 2 ). Beneath the TiO 2 grew a variety of other oxides with the Ta content generally increasing with proximity to the metal-oxide interface. It was found that the most oxidation-resistant alloys had compositions falling between Ti-5Ta and Ti-15Ta. Although Ta stabilizes the β-phase of Ti, the kinetics of oxidation appeared to be rate limited by oxygen transport through the oxygen-stabilized α-phase. However, the kinetics are complicated by the formation of a complex oxide, which cracks periodically. Tantalum appears to increase the compositional range of oxygen-stabilized α-phase and reduces both the solubility of oxygen and diffusivity of Ti in the α- and β-phases

  14. Composition dependence of density of states in a-Se100−xSnx thin ...

    Indian Academy of Sciences (India)

    genide glassy semiconductors [5–15] and the results have been interpreted in terms of space charge limited conduction or Poole–Frenkel conduction. One of the most direct methods for the determination of the density of the localised states g0 in the mobility gap involves the measurements of SCLC, which can be easily ...

  15. Film-thickness and composition dependence of epitaxial thin-film PZT-based

    NARCIS (Netherlands)

    Nguyen, Duc Minh; Dekkers, Jan M.; Vu, Hung Ngoc; Rijnders, Augustinus J.H.M.

    2013-01-01

    The transverse piezoelectric coefficient e31,f and mass-sensitivity were measured on piezoelectric cantilevers based on epitaxial PZT thin-films with film-thicknesses ranging from 100 to 2000 nm. The highest values of e31,f and mass-sensitivity were observed at a film thickness of 500–750 nm, while

  16. Composition dependence of electrical properties of ZnF2–MO–TeO2 ...

    Indian Academy of Sciences (India)

    Unknown

    concentrations of MO (P2O5, As2O3 and Bi2O3) were measured as a function of frequency and temperature over moderately ... affect the far infrared transmission of tellurite glasses to a less extent ... with differential thermal analysis (DTA) and infrared spectra (IR). ... density (d) of the glasses was determined to an accuracy.

  17. Composition dependence of phase transformation behavior and shape memory effect of Ti(Pt, Ir)

    International Nuclear Information System (INIS)

    Yamabe-Mitarai, Y.; Hara, T.; Kitashima, T.; Miura, S.; Hosoda, H.

    2013-01-01

    Highlights: ► The partial isothemal section at 1523 K was determined in Ti–Pt–Ir. ► The high-temperature shape memory effect of Ti(Pt, Ir) was investigated. ► The shape recovery ratio was 72% in Ti–10Pt–32Ir after deformation at 1123 K. ► Ir addition to TiPt is effective to improve shape memory effect of TiPt. -- Abstract: The phase transformation and high-temperature shape memory effect of Ti(Pt, Ir) were investigated. First, the Ti-rich phase boundary of Ti(Pt, Ir) was investigated by phase composition analysis by secondary electron microscopy (SEM) using an electron probe X-ray micro analyzer (EPMA), X-ray diffraction analysis and transmission electron microscopy (TEM). Then, the three alloys Ti–35Pt–10Ir, Ti–22Pt–22Ir, and Ti–10Pt–32Ir (at%) close to the phase boundary but in the single phase of Ti(Pt, Ir) were prepared by the arc melting method. The shape memory effect and crystal structure were investigated by compression loading–unloading tests and high-temperature X-ray diffraction analysis, respectively

  18. Composition dependence of the thermodynamic activity and lattice parameter of zeta nickel-indium

    International Nuclear Information System (INIS)

    Bhattacharya, B.; Masson, D.B.

    1976-01-01

    The vapor pressure of indium over six alloys in the zeta phase of the nickel-indium system was measured by the method of atomic absorption. Values of thermodynamic activity were calculated from the vapor pressure, and partial heat and entropy of indium were calculated from the temperature coefficients. The lattice parameters of the hexagonal B8 2 unit cell of all alloys were calculated from X-ray diffraction powder patterns. It was found that the a lattice parameter passed through a minimum at the same composition that the excess chemical potential showed a sharp change of slope, when graphed as a function of composition. These effects were similar to those observed previously which have been attributed to overlap by the Fermi surface of a Brillouin zone face. In the present case they were attributed to overlap of the Fermi surface across faces tentatively identified as the [110] faces of the Brillouin zone of the B8 2 structure. The influence of substitutional disorder was also considered as a cause of the thermodynamic effects, but this was rejected because it does not explain the minimum in lattice parameter. (Auth.)

  19. Estimation of body composition depends on applied device in patients undergoing major abdominal surgery

    NARCIS (Netherlands)

    Haverkort, Elizabeth B.; Binnekade, Jan M.; de van der Schueren, Marian A. E.; Gouma, Dirk J.; de Haan, Rob J.

    2015-01-01

    Bioelectrical impedance analysis (BIA) is a method used to estimate body compartments such as fat-free mass (FFM) and fat mass (FM). Two BIA devices, a single-frequency BIA (SF-BIA) device and a bioimpedance spectroscopy (BIS) approach, were compared to evaluate their reliability and to study

  20. Alloy composition dependence of formation of porous Ni prepared by rapid solidification and chemical dealloying

    Energy Technology Data Exchange (ETDEWEB)

    Qi Zhen [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, Jingshi Road 73, Jinan 250061 (China); Zhang Zhonghua [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, Jingshi Road 73, Jinan 250061 (China)], E-mail: zh_zhang@sdu.edu.cn; Jia Haoling [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, Jingshi Road 73, Jinan 250061 (China); Qu Yingjie [Shandong Labor Occupational Technology College, Jingshi Road 388, Jinan 250022 (China); Liu Guodong; Bian Xiufang [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, Jingshi Road 73, Jinan 250061 (China)

    2009-03-20

    In this paper, the effect of alloy composition on the formation of porous Ni catalysts prepared by chemical dealloying of rapidly solidified Al-Ni alloys has been investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) analysis and N{sub 2} adsorption experiments. The experimental results show that rapid solidification and alloy composition have a significant effect on the phase constituent and microstructure of Al-Ni alloys. The melt spun Al-20 at.% Ni alloy consists of {alpha}-Al, NiAl{sub 3} and Ni{sub 2}Al{sub 3}, while the melt spun Al-25 and 31.5 at.% Ni alloys comprise NiAl{sub 3} and Ni{sub 2}Al{sub 3}. Moreover, the formation and microstructure of the porous Ni catalysts are dependent upon the composition of the melt spun Al-Ni alloys. The morphology and size of Ni particles in the Ni catalysts inherit from those of grains in the melt spun Al-Ni alloys. Rapid solidification can extend the alloy composition of Al-Ni alloys suitable for preparation of the Ni catalysts, and obviously accelerate the dealloying process of the Al-Ni alloys.

  1. Nd composition dependence of microstructure and magnetic properties for gradient sputtered NdFeB films

    International Nuclear Information System (INIS)

    Li Shandong; Wang Dawei; Fang Jianglin; Duh, J.-G.; Wang Yinying; Wu Yizhi; Huang Junheng; Zheng Hongjun

    2008-01-01

    NdFeB films with Nd compositions varied from 13.34 to 24.30 at% were deposited by DC gradient sputtering using targets Nd 12.5 Fe 71.5 B 16 and Nd. The hard magnetic properties, grain growth direction and magnetic domain structures were dramatically influenced by Nd composition. The samples with intermediate Nd concentrations exhibited optimal magnetic properties and microstructures, such as large squareness ratio over 0.9, large energy product up to 174 kJ/m 3 , and vertical domain structure. However, the samples with higher and lower Nd compositions showed almost isotropic loops. (0 0 l) as main X-ray diffraction peaks in the optimal Nd composition region indicated most of Nd 2 Fe 14 B grains with c-axis perpendicular to the film plane, while NdFeB grains in other region are almost random growth. The good magnetic properties can be attributed to the vertical growth of Nd 2 Fe 14 B grains

  2. Mechanical properties of NiO/Ni-YSZ composites depending on temperature, porosity and redox cycling

    DEFF Research Database (Denmark)

    Pihlatie, Mikko; Kaiser, Andreas; Mogensen, Mogens Bjerg

    2009-01-01

    The Impulse Excitation Technique (IET) was used to determine the elastic modulus and specific damping of different Ni/NiO-YSZ composites suitable for use in solid oxide fuel cells (SOFC). The porosity of the as-sintered samples varied from 9 to 38% and that of the reduced ones from 31 to 52%. For...

  3. Composition-dependent nanostructure of Cu(In,Ga)Se{sub 2} powders and thin films

    Energy Technology Data Exchange (ETDEWEB)

    Schnohr, C.S., E-mail: c.schnohr@uni-jena.de [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Kämmer, H.; Steinbach, T.; Gnauck, M. [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Rissom, T.; Kaufmann, C.A.; Stephan, C. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Schorr, S. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Institut für Geologische Wissenschaften, Freie Universität Berlin, Malteserstr. 74-100, 12249 Berlin (Germany)

    2015-05-01

    Atomic-scale structural parameters of Cu(In,Ga)Se{sub 2} powders and polycrystalline thin films were determined as a function of the In and Cu contents using X-ray absorption spectroscopy. No difference in the two sample types is observed for the average bond lengths demonstrating the strong tendency towards bond length conservation typical for tetrahedrally coordinated semiconductors. In contrast, the bond length variation is significantly smaller in the thin films than in the powders, particularly for Cu-poor material. This difference in the nanostructure is proposed to originate from differences in the preparation conditions, most prominently from the different history of Cu composition. - Highlights: • Cu(In,Ga)Se{sub 2} powders and thin films are studied with X-ray absorption spectroscopy. • Structural parameters are determined as a function of the In and Cu contents. • The element-specific average bond lengths are identical for powders and thin films. • The Ga-Se/In-Se bond length variation is smaller for thin films than for powders. • The differences are believed to stem from the different history of the Cu content.

  4. Composition Dependence of Water Permeation Across Multicomponent Gel-Phase Bilayers

    NARCIS (Netherlands)

    Hartkamp, R.M.; Moore, Timothy C.; Iacovella, Christopher R.; Thompson, Michael A.; Bulsara, Pallav A.; Moore, David J.; McCabe, Clare

    2018-01-01

    The permeability of multicomponent phospholipid bilayers in the gel phase is investigated via molecular dynamics simulation. The physical role of the different molecules is probed by comparing multiple mixed-component bilayers containing distearylphosphatidylcholine (DSPC) with varying amounts of

  5. Estimation of Body Composition Depends on Applied Device in Patients Undergoing Major Abdominal Surgery

    NARCIS (Netherlands)

    Haverkort, E.B.; Binnekade, J.M.; van Bokhorst-de van der Schueren, M.A.E.; Gouma, D.J.; de Haan, R.J.

    2015-01-01

    Background: Bioelectrical impedance analysis (BIA) is a method used to estimate body compartments such as fat-free mass (FFM) and fat mass (FM). Two BIA devices, a single-frequency BIA (SF-BIA) device and a bioimpedance spectroscopy (BIS) approach, were compared to evaluate their reliability and to

  6. Compositional dependence of Young's moduli for amorphous FeCo-SiO2 thin films

    International Nuclear Information System (INIS)

    Zhang, L.; Xie, J. L.; Deng, L. J.; Guo, Q.; Zhu, Z. W.; Bi, L.

    2011-01-01

    Systematic force-deflection measurements with microcantilevers and a combinatorial-deposition method have been used to investigate the Young's moduli of amorphous composite FeCo-SiO 2 thin films as a function of film composition, with high compositional resolution. It is found that the modulus decreases monotonically with increasing FeCo content. Such a trend can be explained in terms of the metalloid atoms having a significant effect on the Young's moduli of metal-metalloid composites, which is associated with the strong chemical interaction between the metalloid and themetallic atoms rather than that between the metallic components themselves. This work provides an efficient and effective method to study the moduli of magnetic thin films over a largecomposition coverage, and to compare the relative magnitudes of moduli for differentcompositions at high compositional resolution.

  7. Cold laser machining of nickel-yttrium stabilised zirconia cermets: Composition dependence

    International Nuclear Information System (INIS)

    Sola, D.; Gurauskis, J.; Pena, J.I.; Orera, V.M.

    2009-01-01

    Cold laser micromachining efficiency in nickel-yttrium stabilised zirconia cermets was studied as a function of cermet composition. Nickel oxide-yttrium stabilised zirconia ceramic plates obtained via tape casting technique were machined using 8-25 ns pulses of a Nd: YAG laser at the fixed wavelength of 1.064 μm and a frequency of 1 kHz. The morphology of the holes, etched volume, drill diameter, shape and depth were evaluated as a function of the processing parameters such as pulse irradiance and of the initial composition. The laser drilling mechanism was evaluated in terms of laser-material interaction parameters such as beam absorptivity, material spallation and the impact on the overall process discussed. By varying the nickel oxide content of the composite the optical absorption (-value is greatly modified and significantly affected the drilling efficiency of the green state ceramic substrates and the morphology of the holes. Higher depth values and improved drilled volume upto 0.2 mm 3 per pulse were obtained for substrates with higher optical transparency (lower optical absorption value). In addition, a laser beam self-focussing effect is observed for the compositions with less nickel oxide content. Holes with average diameter from 60 μm to 110 μm and upto 1 mm in depth were drilled with a high rate of 40 ms per hole while the final microstructure of the cermet obtained by reduction of the nickel oxide-yttrium stabilised zirconia composites remained unchanged.

  8. Temperature and composition dependence of birefringence of lithium-tantalate crystals determined by holographic scattering

    International Nuclear Information System (INIS)

    Bastwoeste, K.; Schwalenberg, S.; Baeumer, Ch.; Kraetzig, E.

    2003-01-01

    Iron-doped lithium-tantalate samples with different compositions ranging from the congruently melting to the stoichiometric one are analyzed by anisotropic holographic scattering. The temperature dependence of the birefringence yields information on the composition of the crystals. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Temperature and composition dependence of birefringence of lithium-tantalate crystals determined by holographic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bastwoeste, K.; Schwalenberg, S.; Baeumer, Ch.; Kraetzig, E. [Fachbereich Physik, Universitaet Osnabrueck, D-49069 Osnabrueck (Germany)

    2003-09-01

    Iron-doped lithium-tantalate samples with different compositions ranging from the congruently melting to the stoichiometric one are analyzed by anisotropic holographic scattering. The temperature dependence of the birefringence yields information on the composition of the crystals. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Meningococcal outer membrane vesicle composition-dependent activation of the innate immune response

    NARCIS (Netherlands)

    Zariri, Afshin; Beskers, Joep; van de Waterbeemd, Bas; Hamstra, Hendrik Jan; Bindels, Tim H E; van Riet, Elly; van Putten, Jos P M; van der Ley, Peter

    2016-01-01

    Meningococcal outer membrane vesicles (OMVs) have been extensively investigated and successfully implemented as vaccines. They contain pathogen associated molecular patterns including lipopolysaccharide (LPS), capable of triggering innate immunity. However, Neisseria meningitidis contains an

  11. Nd composition dependence of microstructure and magnetic properties for gradient sputtered NdFeB films

    Energy Technology Data Exchange (ETDEWEB)

    Li Shandong [Department of Physics, Fujian Normal University, Fuzhou 350007 (China)], E-mail: dylsd007@yahoo.com.cn; Wang Dawei [Department of Physics, Fujian Normal University, Fuzhou 350007 (China); Fang Jianglin [Center for Materials Analysis, Nanjing University, Nanjing 210093 (China); Duh, J.-G. [Department of Materials Science and Engineering, National TsingHua Universtiy, Hsinchu, Taiwan (China); Wang Yinying; Wu Yizhi; Huang Junheng; Zheng Hongjun [Department of Physics, Fujian Normal University, Fuzhou 350007 (China)

    2008-08-15

    NdFeB films with Nd compositions varied from 13.34 to 24.30 at% were deposited by DC gradient sputtering using targets Nd{sub 12.5}Fe{sub 71.5}B{sub 16} and Nd. The hard magnetic properties, grain growth direction and magnetic domain structures were dramatically influenced by Nd composition. The samples with intermediate Nd concentrations exhibited optimal magnetic properties and microstructures, such as large squareness ratio over 0.9, large energy product up to 174 kJ/m{sup 3}, and vertical domain structure. However, the samples with higher and lower Nd compositions showed almost isotropic loops. (0 0 l) as main X-ray diffraction peaks in the optimal Nd composition region indicated most of Nd{sub 2}Fe{sub 14}B grains with c-axis perpendicular to the film plane, while NdFeB grains in other region are almost random growth. The good magnetic properties can be attributed to the vertical growth of Nd{sub 2}Fe{sub 14}B grains.

  12. Composition dependence of crystallization temperature and magnetic property of NdFeB thin films

    Energy Technology Data Exchange (ETDEWEB)

    Khoa, T.V. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Ha, N.D. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Hong, S.M. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Jin, H.M. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, G.W. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Hien, T.D. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Tai, L.T. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Duong, N.P. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Lee, K.E. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, C.G. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, C.O. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of)]. E-mail: magkim@cnu.ac.kr

    2006-09-15

    Si(100)/Mo(30nm)/Nd{sub x}Fe{sub 92-x}B{sub 8}(800nm)/Mo(30nm) (x=14, 20, 30) films are prepared by RF magnetron sputtering at room temperature. As-deposited films are amorphous materials. The crystallization temperature of the Nd{sub 2}Fe{sub 14}B phase decreases from 575deg. C to 500deg. C with increase of x from 14 to 20-30. The optimum annealing temperature with 30min annealing time is 650 deg. C, 625 deg. C and 600 deg. C for x=14, 20 and 30, respectively, and the x=20 film has the largest energy product of 100118MG.

  13. Does stability in local community composition depend on temporal variation in rates of dispersal and connectivity?

    Science.gov (United States)

    Valanko, Sebastian; Norkko, Joanna; Norkko, Alf

    2015-04-01

    In ecology understanding variation in connectivity is central for how biodiversity is maintained. Field studies on dispersal and temporal dynamics in community regulating processes are, however, rare. We test the short-term temporal stability in community composition in a soft-sediment benthic community by determining among-sampling interval similarity in community composition. We relate stability to in situ measures of connectivity (wind, wave, current energy) and rates of dispersal (quantified in different trap types). Waves were an important predictor of when local community taxa are most likely to disperse in different trap-types, suggesting that wave energy is important for connectivity in a region. Community composition at the site was variable and changed stochastically over time. We found changes in community composition (occurrence, abundance, dominance) to be greater at times when connectivity and rates of dispersal were low. In response to periods of lower connectedness dominant taxa in the local community only exhibited change in their relative abundance. In contrast, locally less abundant taxa varied in both their presence, as well as in relative abundance. Constancy in connectivity and rates of dispersal promotes community stability and persistence, suggesting that local community composition will be impacted by changes in the spatial extent over which immigration and emigration operates in the region. Few empirical studies have actually measured dispersal directly in a multi-species context to demonstrate the role it plays in maintaining local community structure. Even though our study does not evaluate coexistence over demographic time scales, it importantly demonstrates that dispersal is not only important in initial recruitment or following a disturbance, but also key in maintaining local community composition.

  14. Compositional dependence thermal and optical properties of a novel germanate glass

    International Nuclear Information System (INIS)

    El-Rabaie, S.; Taha, T.A.; Higazy, A.A.

    2014-01-01

    A series of zinc lithium germanate glasses of the composition (45−x)Li 2 O–xZnO–55GeO 2 have been synthesized via melt quenching technique. Dependencies of their thermal and optical properties on composition were investigated. It is found that the gradual replacement of Li 2 O by ZnO, decreases the glass transition temperature from 430 to 280 °C and increases the thermal stability (ΔT) of the studied glasses. The optical band gap E opt also decreases from 2.31 to 1.40 eV with increasing the mole content of ZnO

  15. Anomalous composition dependence of the band gap pressure coefficients in In-containing nitride semiconductors

    DEFF Research Database (Denmark)

    Gorczyca, I.; Kamińska, A.; Staszczak, G.

    2010-01-01

    The pressure-induced changes in the electronic band structures of In-containing nitride alloys, InxGa1-xN and InxAl1-xN are examined experimentally as well as by ab initio calculations. It is found that the band gap pressure coefficients, dEg/dp, exhibit very large bowing with x, and calculations...

  16. CREST : a computer program for the calculation of composition dependent self-shielded cross-sections

    International Nuclear Information System (INIS)

    Kapil, S.K.

    1977-01-01

    A computer program CREST for the calculation of the composition and temperature dependent self-shielded cross-sections using the shielding factor approach has been described. The code includes the editing and formation of the data library, calculation of the effective shielding factors and cross-sections, a fundamental mode calculation to generate the neutron spectrum for the system which is further used to calculate the effective elastic removal cross-sections. Studies to explore the sensitivity of reactor parameters to changes in group cross-sections can also be carried out by using the facility available in the code to temporarily change the desired constants. The final self-shielded and transport corrected group cross-sections can be dumped on cards or magnetic tape in a suitable form for their direct use in a transport or diffusion theory code for detailed reactor calculations. The program is written in FORTRAN and can be accommodated in a computer with 32 K work memory. The input preparation details, sample problem and the listing of the program are given. (author)

  17. Bacterial radiosensitivity to gamma and ultraviolet. Compositional dependence and repair mechanisms

    International Nuclear Information System (INIS)

    Saez Angulo, R. M.; Davila, C. A.

    1974-01-01

    The gamma and ultraviolet radiosensitivity of several species of bacteria has been determined its dependence on DNAs composition and repair processes has been studied. Base composition are evaluated by chromatography, DNA melting temperature and isopycnic sedimentation on CsCl gradient. Repair capacity of gamma -and UV- lesions has been studied in two bacterial strains with same DMA base composition. It is concluded that the postulated correlation between radiosensitivity and base composition can not be generalized, the enzymatic repair mechanisms being of determining on radiosensitivity. (Author) 248 refs

  18. Microscopic origin of the composition-dependent change of the thermal conductivity in boron carbides

    International Nuclear Information System (INIS)

    Emin, D.; Howard, I.A.; Green, T.A.; Beckel, C.L.

    1987-01-01

    Large grain polycrystalline boron carbides have a high-temperature thermal conductivity which changes from being characteristic of a crystal to being glass-like as the carbon content is reduced from its maximal value. We relate this phenomenon, to compositional changes within the three-atom intericosahedral chains. With a reduction of the carbon concentration from its maximal concentration (20%), a carbon atom within some of the three-atoms (CBC) intericosahedral chains is replaced by a boron atom, thereby producing CBB chains. We estimate that the CBB chains are significantly softer than the CBC chains. Thus, with this reduction of carbon content the intericosahedral chains are inhomogeneously softened. This suppresses the coherent transport of heat through the chains. The remaining thermal transport occurs incoherently through vibrationally inequivalent structural units, i.e. ''phonon hopping.''

  19. Composition dependence of the optical and structural properties of Eu-doped oxyfluoride glasses

    International Nuclear Information System (INIS)

    Zhu, Chaofeng; Wu, Dongqun; Zhang, Yanfei; Zhang, Meimei; Yue, Yuanzheng

    2015-01-01

    Highlights: • Eu doped oxyfluoride glasses for LED applications are studied. • Conversion of Eu 3+ to Eu 2+ is realized in the glasses prepared in air atmosphere. • CaF 2 crystals formed during melt cooling enhance the conversion of Eu 3+ to Eu 2+ . • Content of CaF 2 crystals can be controlled by adjusting base glass compositions. - Abstract: Europium doped oxyfluoride glasses were prepared by the melt quenching method for the light emitting diodes applications. The optical and structural properties of these glasses were studied by means of photoluminescence spectra, Commission Internationale de L’Eclairage chromaticity coordinates, X-ray diffraction, and Fourier transform infrared spectra. We find that the spontaneous reduction of Eu 3+ to Eu 2+ is realized by Eu 3+ ions occupying the sites of Ca 2+ in the glasses prepared in air atmosphere. The Eu 3+ to Eu 2+ conversion efficiency, optical performances and structure of the glasses strongly depend on the base glass compositions. For certain base glass compositions, CaF 2 crystals can form during the melt cooling process, and thereby enhance the conversion from Eu 3+ to Eu 2+ . The formation of CaF 2 crystals can be suppressed by adding CaO, Al 2 O 3 and B 2 O 3 , but enhanced by adding Na 2 O and K 2 O in glass compositions. Finally, we propose a mechanism to explain how the glass structure affects the reduction of Eu ions as well as optical properties of the glasses

  20. Fretting wear damage of HexTOOL{sup TM} composite depending on the different fibre orientations

    Energy Technology Data Exchange (ETDEWEB)

    Terekhina, S; Salvia, M; Fouvry, S [Laboratoire de Tribologie et Dynamique des Systemes, UMR CNRS ECL ENISE ENSMSE 5513, Ecole Centrale de Lyon, 69134 Ecully cedex (France); Malysheva, G; Tarasova, T, E-mail: svetlana.terekhina@ec-lyon.fr, E-mail: svetlanaterekhina@yandex.ru [Bauman Moscow State Technical University, 105005 Moscow, 5, 2nd Baumanskaya str (Russian Federation)

    2009-09-15

    The composites have drawn considerable interest in the mould processes. The vibrations and fatigue stresses induced in the moulds made evident to characterize the composite HexTOOL{sup TM} under fretting conditions. Fretting is a small-amplitude oscillatory motion between contacting surfaces. The running conditions fretting maps (RCFM) of composite at ambient conditions were established. The influence of different fiber orientations of HexTOOL{sup TM} composite on the wear kinetics was shown. An energy wear approach was developed. According to results of dynamic mechanical analysis (DMA), the viscoelastic properties of composite material were obtained.

  1. Composition dependence of glow peak temperature in KCl1-xBrx doped with divalent cations

    International Nuclear Information System (INIS)

    Perez-Salas, R; Aceves, R; RodrIguez-Mijangos, R; Riveros, H G; Duarte, C

    2004-01-01

    Thermoluminescence measurements of β-irradiated Eu 2+ - and Ca 2+ - doped KCl 1-x KBr x solid solutions excited at room temperature have been carried out to identify the effect of composition on the glow peaks. A typical glow peak has been distinguished for each composition. A linear dependence of its temperature on the composition x has been found. These results indicate that for divalent impurity-doped alkali halide solid solutions these glow peak temperatures are mostly dependent on the lattice constant of the host than on the size of the anion or impurity cation

  2. Size and composition dependence of the frozen structures in Co-based bimetallic clusters

    International Nuclear Information System (INIS)

    Li, Guojian; Wang, Qiang; Cao, Yongze; Du, Jiaojiao; He, Jicheng

    2012-01-01

    This Letter studies the size-dependent freezing of Co, Co–Ni, and Co–Cu clusters by using molecular dynamics with embedded atom method. Size effect occurs in these three types of clusters. The clusters with large sizes always freeze to form their bulk-like structures. However, the frozen structures for small sizes are generally related to their compositions. The icosahedral clusters are formed for Co clusters (for ⩽3.2 nm diameter) and also for Co–Ni clusters but at a larger size range (for ⩽4.08 nm). Upon the Co–Cu clusters, decahedral structure is obtained for small size (for 2.47 nm). The released energy induced the structural transformation plays a key role in the frozen structures. These results indicate that the preformed clusters with special structures can be tuned by controlling their compositions and sizes. -- Highlights: ► The size effect occurs in the Co, Co–Ni, and Co–Cu clusters. ► The clusters with large sizes always freeze to form their bulk-like structures. ► The frozen structures for small sizes are generally related to their compositions. ► Icosahedron is formed for Co and also for Co–Ni but at a larger size range. ► Upon the Co–Cu clusters, decahedral structure is obtained for small size.

  3. Alloy and composition dependence of hydrogen embrittlement susceptibility in high-strength steel fasteners

    Science.gov (United States)

    Brahimi, S. V.; Yue, S.; Sriraman, K. R.

    2017-06-01

    High-strength steel fasteners characterized by tensile strengths above 1100 MPa are often used in critical applications where a failure can have catastrophic consequences. Preventing hydrogen embrittlement (HE) failure is a fundamental concern implicating the entire fastener supply chain. Research is typically conducted under idealized conditions that cannot be translated into know-how prescribed in fastener industry standards and practices. Additionally, inconsistencies and even contradictions in fastener industry standards have led to much confusion and many preventable or misdiagnosed fastener failures. HE susceptibility is a function of the material condition, which is comprehensively described by the metallurgical and mechanical properties. Material strength has a first-order effect on HE susceptibility, which increases significantly above 1200 MPa and is characterized by a ductile-brittle transition. For a given concentration of hydrogen and at equal strength, the critical strength above which the ductile-brittle transition begins can vary due to second-order effects of chemistry, tempering temperature and sub-microstructure. Additionally, non-homogeneity of the metallurgical structure resulting from poorly controlled heat treatment, impurities and non-metallic inclusions can increase HE susceptibility of steel in ways that are measurable but unpredictable. Below 1200 MPa, non-conforming quality is often the root cause of real-life failures. This article is part of the themed issue 'The challenges of hydrogen and metals'.

  4. Composition dependence of the optical and structural properties of Eu-doped oxyfluoride glasses

    DEFF Research Database (Denmark)

    Zhu, C.F.; Wu, D.Q.; Zhang, Y.F.

    2015-01-01

    Europium doped oxyfluoride glasses were prepared by the melt quenching method for the light emitting diodes applications. The optical and structural properties of these glasses were studied by means of photoluminescence spectra, Commission Internationale de L'Eclairage chromaticity coordinates, X...... compositions. Finally, we propose a mechanism to explain how the glass structure affects the reduction of Eu ions as well as optical properties of the glasses.......Europium doped oxyfluoride glasses were prepared by the melt quenching method for the light emitting diodes applications. The optical and structural properties of these glasses were studied by means of photoluminescence spectra, Commission Internationale de L'Eclairage chromaticity coordinates, X...... on the base glass compositions. For certain base glass compositions, CaF2 crystals can form during the melt cooling process, and thereby enhance the conversion from Eu3+ to Eu2+. The formation of CaF2 crystals can be suppressed by adding CaO, Al2O3 and B2O3, but enhanced by adding Na2O and K2O in glass...

  5. Compositional dependence of physical properties in Se-Sb-In glassy system

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Shaveta, E-mail: shaveta.sharma1987@yahoo.com; Sharma, Rita; Kumar, Praveen; Chander, Ravi; Thangaraj, R.; Mian, M. [Semiconductors Laboratory, Department of Physics, GND University, Amritsar (India)

    2015-08-28

    The growing interest in the investigation of the properties of chalcogenide glasses stems from their potential application as phase change recording media and photoconductive elements in solid state devices.In the present work, the different theoretical parameters viz. coordination number, constraints, number of lone pair electrons, bond energy, heat of atomization, mean bond energy and glass transition temperature for Se{sub 75-x}Sb{sub 25}In{sub x} (x= 0, 1, 3, 5, 7, 9, 11) chalcogenide system have been calculated and their composition variation has been discussed. It has been found that average heat of atomization increases with In content. The glass transition temperature and mean bond energy increases with In. An attempt has been made to explain the varying trend of various parameters with increasing In content.

  6. Composition dependence of spontaneous crystallization of phosphosilicate glass melts during cooling

    DEFF Research Database (Denmark)

    Liu, S.J.; Zhu, C.F.; Zhang, Y.F.

    2012-01-01

    Crystallization behavior of alumino-phospho-silicate melts during cooling is studied by means of the differential scanning calorimetry, X-ray diffractometry and viscometry. The results show a pronounced impact of alkaline earth oxide, alkali oxide and fluoride on the crystal type and crystallizat......Crystallization behavior of alumino-phospho-silicate melts during cooling is studied by means of the differential scanning calorimetry, X-ray diffractometry and viscometry. The results show a pronounced impact of alkaline earth oxide, alkali oxide and fluoride on the crystal type...... and crystallization degree. It is found that adding NaF into the studied compositions slightly decreases melt fragility and improves both the glass-forming ability and melt workability. This effect is associated with the unique structural role of NaF compared to the other modifier oxides. It is also found...

  7. Numerical analysis of splashing fluid using hybrid method of mesh-based and particle-based modelings

    International Nuclear Information System (INIS)

    Tanaka, Nobuatsu; Ogawara, Takuya; Kaneda, Takeshi; Maseguchi, Ryo

    2009-01-01

    In order to simulate splashing and scattering fluid behaviors, we developed a hybrid method of mesh-based model for large-scale continuum fluid and particle-based model for small-scale discrete fluid particles. As for the solver of the continuum fluid, we adopt the CIVA RefIned Multiphase SimulatiON (CRIMSON) code to evaluate two phase flow behaviors based on the recent computational fluid dynamics (CFD) techniques. The phase field model has been introduced to the CRIMSON in order to solve the problem of loosing phase interface sharpness in long-term calculation. As for the solver of the discrete fluid droplets, we applied the idea of Smoothed Particle Hydrodynamics (SPH) method. Both continuum fluid and discrete fluid interact each other through drag interaction force. We verified our method by applying it to a popular benchmark problem of collapse of water column problems, especially focusing on the splashing and scattering fluid behaviors after the column collided against the wall. We confirmed that the gross splashing and scattering behaviors were well reproduced by the introduction of particle model while the detailed behaviors of the particles were slightly different from the experimental results. (author)

  8. Strain Rate Dependant Material Model for Orthotropic Metals

    International Nuclear Information System (INIS)

    Vignjevic, Rade

    2016-01-01

    In manufacturing processes anisotropic metals are often exposed to the loading with high strain rates in the range from 10"2 s"-"1 to 10"6 s"-"1 (e.g. stamping, cold spraying and explosive forming). These types of loading often involve generation and propagation of shock waves within the material. The material behaviour under such a complex loading needs to be accurately modelled, in order to optimise the manufacturing process and achieve appropriate properties of the manufactured component. The presented research is related to development and validation of a thermodynamically consistent physically based constitutive model for metals under high rate loading. The model is capable of modelling damage, failure and formation and propagation of shock waves in anisotropic metals. The model has two main parts: the strength part which defines the material response to shear deformation and an equation of state (EOS) which defines the material response to isotropic volumetric deformation [1]. The constitutive model was implemented into the transient nonlinear finite element code DYNA3D [2] and our in house SPH code. Limited model validation was performed by simulating a number of high velocity material characterisation and validation impact tests. The new damage model was developed in the framework of configurational continuum mechanics and irreversible thermodynamics with internal state variables. The use of the multiplicative decomposition of deformation gradient makes the model applicable to arbitrary plastic and damage deformations. To account for the physical mechanisms of failure, the concept of thermally activated damage initially proposed by Tuller and Bucher [3], Klepaczko [4] was adopted as the basis for the new damage evolution model. This makes the proposed damage/failure model compatible with the Mechanical Threshold Strength (MTS) model Follansbee and Kocks [5], 1988; Chen and Gray [6] which was used to control evolution of flow stress during plastic

  9. Modelling the continuous cooling transformation diagram of engineering steels using neural networks. Part I. Phase regions

    Energy Technology Data Exchange (ETDEWEB)

    Wolk, P.J. van der; Wang, J. [Delft Univ. of Technology (Netherlands); Sietsma, J.; Zwaag, S. van der [Delft Univ. of Technology, Lab. for Materials Science (Netherlands)

    2002-12-01

    A neural network model for the calculation of the phase regions of the continuous cooling transformation (CCT) diagram of engineering steels has been developed. The model is based on experimental CCT diagrams of 459 low-alloy steels, and calculates the CCT diagram as a function of composition and austenitisation temperature. In considering the composition, 9 alloying elements are taken into account. The model reproduces the original diagrams rather accurately, with deviations that are not larger than the average experimental inaccuracy of the experimental diagrams. Therefore, it can be considered an adequate alternative to the experimental determination of the CCT diagram of a certain steel within the composition range used. The effects of alloying elements can be quantified, either individually or in combination, with the model. Nonlinear composition dependencies are observed. (orig.)

  10. Detailed finite element method modeling of evaporating multi-component droplets

    Energy Technology Data Exchange (ETDEWEB)

    Diddens, Christian, E-mail: C.Diddens@tue.nl

    2017-07-01

    The evaporation of sessile multi-component droplets is modeled with an axisymmetic finite element method. The model comprises the coupled processes of mixture evaporation, multi-component flow with composition-dependent fluid properties and thermal effects. Based on representative examples of water–glycerol and water–ethanol droplets, regular and chaotic examples of solutal Marangoni flows are discussed. Furthermore, the relevance of the substrate thickness for the evaporative cooling of volatile binary mixture droplets is pointed out. It is shown how the evaporation of the more volatile component can drastically decrease the interface temperature, so that ambient vapor of the less volatile component condenses on the droplet. Finally, results of this model are compared with corresponding results of a lubrication theory model, showing that the application of lubrication theory can cause considerable errors even for moderate contact angles of 40°. - Graphical abstract:.

  11. AX-GADGET: a new code for cosmological simulations of Fuzzy Dark Matter and Axion models

    Science.gov (United States)

    Nori, Matteo; Baldi, Marco

    2018-05-01

    We present a new module of the parallel N-Body code P-GADGET3 for cosmological simulations of light bosonic non-thermal dark matter, often referred as Fuzzy Dark Matter (FDM). The dynamics of the FDM features a highly non-linear Quantum Potential (QP) that suppresses the growth of structures at small scales. Most of the previous attempts of FDM simulations either evolved suppressed initial conditions, completely neglecting the dynamical effects of QP throughout cosmic evolution, or resorted to numerically challenging full-wave solvers. The code provides an interesting alternative, following the FDM evolution without impairing the overall performance. This is done by computing the QP acceleration through the Smoothed Particle Hydrodynamics (SPH) routines, with improved schemes to ensure precise and stable derivatives. As an extension of the P-GADGET3 code, it inherits all the additional physics modules implemented up to date, opening a wide range of possibilities to constrain FDM models and explore its degeneracies with other physical phenomena. Simulations are compared with analytical predictions and results of other codes, validating the QP as a crucial player in structure formation at small scales.

  12. The effects of pressure dependent constitutive model to simulate concrete structures failure under impact loads

    Science.gov (United States)

    Mokhatar, S. N.; Sonoda, Y.; Kamarudin, A. F.; Noh, M. S. Md; Tokumaru, S.

    2018-04-01

    The main objective of this paper is to explore the effect of confining pressure in the compression and tension zone by simulating the behaviour of reinforced concrete/mortar structures subjected to the impact load. The analysis comprises the numerical simulation of the influences of high mass low speed impact weight dropping on concrete structures, where the analyses are incorporated with meshless method namely as Smoothed Particle Hydrodynamics (SPH) method. The derivation of the plastic stiffness matrix of Drucker-Prager (DP) that extended from Von-Mises (VM) yield criteria to simulate the concrete behaviour were presented in this paper. In which, the displacements for concrete/mortar structures are assumed to be infinitesimal. Furthermore, the influence of the different material model of DP and VM that used numerically for concrete and mortar structures are also discussed. Validation upon existing experimental test results is carried out to investigate the effect of confining pressure, it is found that VM criterion causes unreal impact failure (flexural cracking) of concrete structures.

  13. Hydrodynamical simulations of coupled and uncoupled quintessence models - II. Galaxy clusters

    Science.gov (United States)

    Carlesi, Edoardo; Knebe, Alexander; Lewis, Geraint F.; Yepes, Gustavo

    2014-04-01

    We study the z = 0 properties of clusters (and large groups) of galaxies within the context of interacting and non-interacting quintessence cosmological models, using a series of adiabatic SPH simulations. Initially, we examine the average properties of groups and clusters, quantifying their differences in ΛCold Dark Matter (ΛCDM), uncoupled Dark Energy (uDE) and coupled Dark Energy (cDE) cosmologies. In particular, we focus upon radial profiles of the gas density, temperature and pressure, and we also investigate how the standard hydrodynamic equilibrium hypothesis holds in quintessence cosmologies. While we are able to confirm previous results about the distribution of baryons, we also find that the main discrepancy (with differences up to 20 per cent) can be seen in cluster pressure profiles. We then switch attention to individual structures, mapping each halo in quintessence cosmology to its ΛCDM counterpart. We are able to identify a series of small correlations between the coupling in the dark sector and halo spin, triaxiality and virialization ratio. When looking at spin and virialization of dark matter haloes, we find a weak (5 per cent) but systematic deviation in fifth force scenarios from ΛCDM.

  14. CHEMISTRY IN A FORMING PROTOPLANETARY DISK: MAIN ACCRETION PHASE

    Energy Technology Data Exchange (ETDEWEB)

    Yoneda, Haruaki [Department of Planetology, Kobe University, Kobe 657-8501 (Japan); Tsukamoto, Yusuke [Riken, 2-1 Hirosawa, Wako, Saitama (Japan); Furuya, Kenji; Aikawa, Yuri, E-mail: aikawa@ccs.tsukuba.ac.jp [Center for Computational Sciences, University of Tsukuba (Japan)

    2016-12-10

    We investigate the chemistry in a radiation-hydrodynamics model of a star-forming core that evolves from a cold (∼10 K) prestellar core to the main accretion phase in ∼10{sup 5} years. A rotationally supported gravitationally unstable disk is formed around a protostar. We extract the temporal variation of physical parameters in ∼1.5 × 10{sup 3} SPH particles that end up in the disk, and perform post-processing calculations of the gas-grain chemistry adopting a three-phase model. Inside the disk, the SPH particles migrate both inward and outward. Since a significant fraction of volatiles such as CO can be trapped in the water-dominant ice in the three-phase model, the ice mantle composition depends not only on the current position in the disk, but also on whether the dust grain has ever experienced higher temperatures than the water sublimation temperature. Stable molecules such as H{sub 2}O, CH{sub 4}, NH{sub 3}, and CH{sub 3}OH are already abundant at the onset of gravitational collapse and are simply sublimated as the fluid parcels migrate inside the water snow line. On the other hand, various molecules such as carbon chains and complex organic molecules (COMs) are formed in the disk. The COMs abundance sensitively depends on the outcomes of photodissociation and diffusion rates of photofragments in bulk ice mantle. As for S-bearing species, H{sub 2}S ice is abundant in the collapse phase. In the warm regions in the disk, H{sub 2}S is sublimated to be destroyed, while SO, H{sub 2}CS, OCS, and SO{sub 2} become abundant.

  15. CHEMISTRY IN A FORMING PROTOPLANETARY DISK: MAIN ACCRETION PHASE

    International Nuclear Information System (INIS)

    Yoneda, Haruaki; Tsukamoto, Yusuke; Furuya, Kenji; Aikawa, Yuri

    2016-01-01

    We investigate the chemistry in a radiation-hydrodynamics model of a star-forming core that evolves from a cold (∼10 K) prestellar core to the main accretion phase in ∼10 5 years. A rotationally supported gravitationally unstable disk is formed around a protostar. We extract the temporal variation of physical parameters in ∼1.5 × 10 3 SPH particles that end up in the disk, and perform post-processing calculations of the gas-grain chemistry adopting a three-phase model. Inside the disk, the SPH particles migrate both inward and outward. Since a significant fraction of volatiles such as CO can be trapped in the water-dominant ice in the three-phase model, the ice mantle composition depends not only on the current position in the disk, but also on whether the dust grain has ever experienced higher temperatures than the water sublimation temperature. Stable molecules such as H 2 O, CH 4 , NH 3 , and CH 3 OH are already abundant at the onset of gravitational collapse and are simply sublimated as the fluid parcels migrate inside the water snow line. On the other hand, various molecules such as carbon chains and complex organic molecules (COMs) are formed in the disk. The COMs abundance sensitively depends on the outcomes of photodissociation and diffusion rates of photofragments in bulk ice mantle. As for S-bearing species, H 2 S ice is abundant in the collapse phase. In the warm regions in the disk, H 2 S is sublimated to be destroyed, while SO, H 2 CS, OCS, and SO 2 become abundant.

  16. Sphingosine kinase 1 is required for mesothelioma cell proliferation: role of histone acetylation.

    Directory of Open Access Journals (Sweden)

    Satish Kalari

    Full Text Available Malignant pleural mesothelioma (MPM is a devastating disease with an overall poor prognosis. Despite the recent advances in targeted molecular therapies, there is a clear and urgent need for the identification of novel mesothelioma targets for the development of highly efficacious therapeutics.In this study, we report that the expression of Sphingosine Kinase 1 (SphK1 protein was preferentially elevated in MPM tumor tissues (49 epithelioid and 13 sarcomatoid compared to normal tissue (n = 13. In addition, we also observed significantly elevated levels of SphK1 and SphK2 mRNA and SphK1 protein expression in MPM cell lines such as H2691, H513 and H2461 compared to the non-malignant mesothelial Met5 cells. The underlying mechanism appears to be mediated by SphK1 induced upregulation of select gene transcription programs such as that of CBP/p300 and PCAF, two histone acetyl transferases (HAT, and the down regulation of cell cycle dependent kinase inhibitor genes such as p27Kip1 and p21Cip1. In addition, using immunoprecipitates of anti-acetylated histone antibody from SphK inhibitor, SphK-I2 treated Met5A and H2691 cell lysates, we also showed activation of other cell proliferation related genes, such as Top2A (DNA replication, AKB (chromosome remodeling and mitotic spindle formation, and suppression of p21 CIP1 and p27KIP1. The CDK2, HAT1 and MYST2 were, however, unaffected in the above study. Using SphK inhibitor and specific siRNA targeting either SphK1 or SphK2, we also unequivocally established that SphK1, but not SphK2, promotes H2691 mesothelioma cell proliferation. Using a multi-walled carbon nanotubes induced peritoneal mesothelioma mouse model, we showed that the SphK1-/- null mice exhibited significantly less inflammation and granulamatous nodules compared to their wild type counterparts.The lipid kinase SphK1 plays a positive and essential role in the growth and development of malignant mesothelioma and is therefore a likely

  17. Pore-Scale Flow Simulations: Model Predictions Compared with Experiments on Bi-Dispersed Granular Assemblies Simulation d’écoulements à l’échelle porale : comparaison des prédictions du modèle et d’expériences sur mélanges de billes de verre bi-disperses

    Directory of Open Access Journals (Sweden)

    Tong A.-T.

    2012-11-01

    Full Text Available A method is presented for the simulation of pore flow in granular materials. The numerical model uses a combination of the discrete element method for the solid phase and a novel finite volume formulation for the fluid phase. The solid is modeled as an assembly of spherical particles, where contact interactions are governed by elasto-plastic relations. Incompressible Stokes flow is considered, assuming that inertial forces are small in comparison with viscous forces. Pore geometry and pore connections are defined locally through regular triangulation of spheres, from which a tetrahedral mesh arises. The definition of pore-scale hydraulic conductivities is a key aspect of this model. In this sense, the model is similar to a pore-network model. Permeability measurements on bi-dispersed glass beads are reported and compared with model predictions, validating the definition of local conductivities. Une méthode est présentée pour la simulation de l’écoulement porale dans les matériaux granulaires. Le modèle numérique est basé sur la méthode des éléments discrets pour la phase solide et sur une nouvelle méthode de type volumes finis pour la phase fluide. Le solide est modélisé comme un arrangement de particules sphériques avec des interactions de type élasto-plastique aux contacts. On considère un écoulement de Stokes incompressible en supposant que les forces inertielles sont négligeables par rapport aux forces visqueuses. La géométrie des pores et leur connectivité sont définies sur la base d’une triangulation régulière des sphères qui aboutit à un maillage tétraédrique. La définition des conductivités hydrauliques à l’échelle des pores est un point clef du modèle qui se rapproche sur ce point à des modèles de type pore-network. Des mesures de perméabilités sur des assemblages bi-disperses de billes de verre sont présentées et comparées aux prédictions du modèle ce qui valide la définition des

  18. Numerical Modelling of the Compressive and Tensile Response of Glass and Ceramic under High Pressure Dynamic Loading

    Science.gov (United States)

    Clegg, Richard A.; Hayhurst, Colin J.

    1999-06-01

    Ceramic materials, including glass, are commonly used as ballistic protection materials. The response of a ceramic to impact, perforation and penetration is complex and difficult and/or expensive to instrument for obtaining detailed physical data. This paper demonstrates how a hydrocode, such as AUTODYN, can be used to aid in the understanding of the response of brittle materials to high pressure impact loading and thus promote an efficient and cost effective design process. Hydrocode simulations cannot be made without appropriate characterisation of the material. Because of the complexitiy of the response of ceramic materials this often requires a number of complex material tests. Here we present a methodology for using the results of flyer plate tests, in conjunction with numerical simulations, to derive input to the Johnson-Holmquist material model for ceramics. Most of the research effort in relation to the development of hydrocode material models for ceramics has concentrated on the material behaviour under compression and shear. While the penetration process is dominated by these aspects of the material response, the final damaged state of the material can be significantly influenced by the tensile behaviour. Modelling of the final damage state is important since this is often the only physical information which is available. In this paper we present a unique implementation, in a hydrocode, for improved modelling of brittle materials in the tensile regime. Tensile failure initiation is based on any combination of principal stress or strain while the post-failure tensile response of the material is controlled through a Rankine plasticity damaging failure surface. The tensile failure surface can be combined with any of the traditional plasticity and/or compressive damage models. Finally, the models and data are applied in both traditional grid based Lagrangian and Eulerian solution techniques and the relativley new SPH (Smooth Particle Hydrodynamics) meshless

  19. Smooth particle hydrodynamic modeling and validation for impact bird substitution

    Science.gov (United States)

    Babu, Arun; Prasad, Ganesh

    2018-04-01

    Bird strike events incidentally occur and can at times be fatal for air frame structures. Federal Aviation Regulations (FAR) and such other ones mandates aircrafts to be modeled to withstand various levels of bird hit damages. The subject matter of this paper is numerical modeling of a soft body geometry for realistically substituting an actual bird for carrying out simulations of bird hit on target structures. Evolution of such a numerical code to effect an actual bird behavior through impact is much desired for making use of the state of the art computational facilities in simulating bird strike events. Validity, of simulations depicting bird hits, is largely dependent on the correctness of the bird model. In an impact, a set of complex and coupled dynamic interaction exists between the target and the impactor. To simplify this problem, impactor response needs to be decoupled from that of the target. This can be done by assuming and modeling the target as noncompliant. Bird is assumed as fluidic in a impact. Generated stresses in the bird body are significant than its yield stresses. Hydrodynamic theory is most ideal for describing this problem. Impactor literally flows steadily over the target for most part of this problem. The impact starts with an initial shock and falls into a radial release shock regime. Subsequently a steady flow is established in the bird body and this phase continues till the whole length of the bird body is turned around. Initial shock pressure and steady state pressure are ideal variables for comparing and validating the bird model. Spatial discretization of the bird is done using Smooth Particle Hydrodynamic (SPH) approach. This Discrete Element Model (DEM) offers significant advantages over other contemporary approaches. Thermodynamic state variable relations are established using Polynomial Equation of State (EOS). ANSYS AUTODYN is used to perform the explicit dynamic simulation of the impact event. Validation of the shock and steady

  20. A structural bond strength model for glass durability

    International Nuclear Information System (INIS)

    Feng, Xiangdong; Metzger, T.B.

    1996-01-01

    A glass durability model, structural bond strength (SBS) model was developed to correlate glass durability with its composition. This model assumes that the strengths of the bonds between cations and oxygens and the structural roles of the individual elements in the glass arc the predominant factors controlling the composition dependence of the chemical durability of glasses. The structural roles of oxides in glass are classified as network formers, network breakers, and intermediates. The structural roles of the oxides depend upon glass composition and the redox state of oxides. Al 2 O 3 , ZrO 2 , Fe 2 O 3 , and B 2 O 3 are assigned as network formers only when there are sufficient alkalis to bind with these oxides. CaO can also improve durability by sharing non-bridging oxygen with alkalis, relieving SiO 2 from alkalis. The percolation phenomenon in glass is also taken into account. The SBS model is applied to correlate the 7-day product consistency test durability of 42 low-level waste glasses with their composition with an R 2 of 0.87, which is better than 0.81 obtained with an eight-coefficient empirical first-order mixture model on the same data set

  1. The relation between degree-2160 spectral models of Earth's gravitational and topographic potential: a guide on global correlation measures and their dependency on approximation effects

    Science.gov (United States)

    Hirt, Christian; Rexer, Moritz; Claessens, Sten; Rummel, Reiner

    2017-10-01

    transformation of ICGEM geopotential models from ellipsoidal to spherical approximation. The transformation is applied to generate a spherical transform of EGM2008 (sphEGM2008) that can meaningfully be correlated degree-wise with the topographic potential. We exploit this new technique and compare a number of models of topographic potential constituents (e.g., potential implied by land topography, ocean water masses) based on the Earth2014 global relief model and a mass-layer forward modelling technique with sphEGM2008. Different to previous findings, our results show very significant short-scale correlation between Earth's gravitational potential and the potential generated by Earth's land topography (correlation +0.92, and 60% of EGM2008 signals are delivered through the forward modelling). Our tests reveal that the potential generated by Earth's oceans water masses is largely unrelated to the geopotential at short scales, suggesting that altimetry-derived gravity and/or bathymetric data sets are significantly underpowered at 5 arc-min scales. We further decompose the topographic potential into the Bouguer shell and terrain correction and show that they are responsible for about 20 and 25% of EGM2008 short-scale signals, respectively. As a general conclusion, the paper shows the importance of using compatible models in topographic/gravitational potential comparisons and recommends the use of SHCs together with spherical approximation or EHCs with ellipsoidal approximation in order to avoid biases in the correlation measures.

  2. Theory and modeling of active brazing.

    Energy Technology Data Exchange (ETDEWEB)

    van Swol, Frank B.; Miller, James Edward; Lechman, Jeremy B.; Givler, Richard C.

    2013-09-01

    Active brazes have been used for many years to produce bonds between metal and ceramic objects. By including a relatively small of a reactive additive to the braze one seeks to improve the wetting and spreading behavior of the braze. The additive modifies the substrate, either by a chemical surface reaction or possibly by alloying. By its nature, the joining process with active brazes is a complex nonequilibrium non-steady state process that couples chemical reaction, reactant and product diffusion to the rheology and wetting behavior of the braze. Most of the these subprocesses are taking place in the interfacial region, most are difficult to access by experiment. To improve the control over the brazing process, one requires a better understanding of the melting of the active braze, rate of the chemical reaction, reactant and product diffusion rates, nonequilibrium composition-dependent surface tension as well as the viscosity. This report identifies ways in which modeling and theory can assist in improving our understanding.

  3. WCSPH with Limiting Viscosity for Modeling Landslide Hazard at the Slopes of Artificial Reservoir

    Directory of Open Access Journals (Sweden)

    Sauro Manenti

    2018-04-01

    Full Text Available This work illustrated an application of the FOSS code SPHERA v.8.0 (RSE SpA, Milano, Italy to the simulation of landslide hazard at the slope of a water basin. SPHERA is based on the weakly compressible SPH method (WCSPH and holds a mixture model, consistent with the packing limit of the Kinetic Theory of Granular Flow (KTGF, which was previously tested for simulating two-phase free-surface rapid flows involving water-sediment interaction. In this study a limiting viscosity parameter was implemented in the previous formulation of the mixture model to limit the growth of the apparent viscosity, thus saving computational time while preserving the solution accuracy. This approach is consistent with the experimental behavior of high polymer solutions for which an almost constant value of viscosity may be approached at very low deformation rates near the transition zone of elastic–plastic regime. In this application, the limiting viscosity was used as a numerical parameter for optimization of the computation. Some preliminary tests were performed by simulating a 2D erosional dam break, proving that a proper selection of the limiting viscosity leads to a considerable drop of the computational time without altering significantly the numerical solution. SPHERA was then validated by simulating a 2D scale experiment reproducing the early phase of the Vajont landslide when a tsunami wave was generated that climbed the opposite mountain side with a maximum run-up of about 270 m. The obtained maximum run-up was very close to the experimental result. Influence of saturation of the landslide material below the still water level was also accounted, showing that the landslide dynamics can be better represented and the wave run-up can be properly estimated.

  4. The effect of gas dynamics on semi-analytic modelling of cluster galaxies

    Science.gov (United States)

    Saro, A.; De Lucia, G.; Dolag, K.; Borgani, S.

    2008-12-01

    We study the degree to which non-radiative gas dynamics affect the merger histories of haloes along with subsequent predictions from a semi-analytic model (SAM) of galaxy formation. To this aim, we use a sample of dark matter only and non-radiative smooth particle hydrodynamics (SPH) simulations of four massive clusters. The presence of gas-dynamical processes (e.g. ram pressure from the hot intra-cluster atmosphere) makes haloes more fragile in the runs which include gas. This results in a 25 per cent decrease in the total number of subhaloes at z = 0. The impact on the galaxy population predicted by SAMs is complicated by the presence of `orphan' galaxies, i.e. galaxies whose parent substructures are reduced below the resolution limit of the simulation. In the model employed in our study, these galaxies survive (unaffected by the tidal stripping process) for a residual merging time that is computed using a variation of the Chandrasekhar formula. Due to ram-pressure stripping, haloes in gas simulations tend to be less massive than their counterparts in the dark matter simulations. The resulting merging times for satellite galaxies are then longer in these simulations. On the other hand, the presence of gas influences the orbits of haloes making them on average more circular and therefore reducing the estimated merging times with respect to the dark matter only simulation. This effect is particularly significant for the most massive satellites and is (at least in part) responsible for the fact that brightest cluster galaxies in runs with gas have stellar masses which are about 25 per cent larger than those obtained from dark matter only simulations. Our results show that gas dynamics has only a marginal impact on the statistical properties of the galaxy population, but that its impact on the orbits and merging times of haloes strongly influences the assembly of the most massive galaxies.

  5. Accurate Treatment of Collisions and Water-Delivery in Models of Terrestrial Planet Formation

    Science.gov (United States)

    Haghighipour, Nader; Maindl, Thomas; Schaefer, Christoph

    2017-10-01

    It is widely accepted that collisions among solid bodies, ignited by their interactions with planetary embryos is the key process in the formation of terrestrial planets and transport of volatiles and chemical compounds to their accretion zones. Unfortunately, due to computational complexities, these collisions are often treated in a rudimentary way. Impacts are considered to be perfectly inelastic and volatiles are considered to be fully transferred from one object to the other. This perfect-merging assumption has profound effects on the mass and composition of final planetary bodies as it grossly overestimates the masses of these objects and the amounts of volatiles and chemical elements transferred to them. It also entirely neglects collisional-loss of volatiles (e.g., water) and draws an unrealistic connection between these properties and the chemical structure of the protoplanetary disk (i.e., the location of their original carriers). We have developed a new and comprehensive methodology to simulate growth of embryos to planetary bodies where we use a combination of SPH and N-body codes to accurately model collisions as well as the transport/transfer of chemical compounds. Our methodology accounts for the loss of volatiles (e.g., ice sublimation) during the orbital evolution of their careers and accurately tracks their transfer from one body to another. Results of our simulations show that traditional N-body modeling of terrestrial planet formation overestimates the amount of the mass and water contents of the final planets by over 60% implying that not only the amount of water they suggest is far from being realistic, small planets such as Mars can also form in these simulations when collisions are treated properly. We will present details of our methodology and discuss its implications for terrestrial planet formation and water delivery to Earth.

  6. Modelling free surface flows with smoothed particle hydrodynamics

    Directory of Open Access Journals (Sweden)

    L.Di G.Sigalotti

    2006-01-01

    Full Text Available In this paper the method of Smoothed Particle Hydrodynamics (SPH is extended to include an adaptive density kernel estimation (ADKE procedure. It is shown that for a van der Waals (vdW fluid, this method can be used to deal with free-surface phenomena without difficulties. In particular, arbitrary moving boundaries can be easily handled because surface tension is effectively simulated by the cohesive pressure forces. Moreover, the ADKE method is seen to increase both the accuracy and stability of SPH since it allows the width of the kernel interpolant to vary locally in a way that only the minimum necessary smoothing is applied at and near free surfaces and sharp fluid-fluid interfaces. The method is robust and easy to implement. Examples of its resolving power are given for both the formation of a circular liquid drop under surface tension and the nonlinear oscillation of excited drops.

  7. THERMODYNAMIC MODEL AND VISCOSITY OF SELECTED ZIRCONIA CONTAINING SILICATE GLASSES

    Directory of Open Access Journals (Sweden)

    MÁRIA CHROMČÍKOVÁ

    2013-03-01

    Full Text Available The compositional dependence of viscosity, and viscous flow activation energy of glasses with composition xNa2O∙(15-x K2O∙yCaO∙(10-yZnO∙zZrO2∙(75-zSiO2 (x = 0, 7.5, 15; y = 0, 5, 10; z = 0, 1, 3, 5, 7 was analyzed. The studied glasses were described by the thermodynamic model of Shakhmatkin and Vedishcheva considering the glass as an equilibrium ideal solution of species with stoichiometry given by the composition of stable crystalline phases of respective glass forming system. Viscosity-composition relationships were described by the regression approach considering the viscous flow activation energy and the particular isokome temperature as multilinear function of equilibrium molar amounts of system components. The classical approach where the mole fractions of individual oxides are considered as independent variables was compared with the thermodynamic model. On the basis of statistical analysis there was proved that the thermodynamic model is able to describe the composition property relationships with higher reliability. Moreover, due its better physical justification, thermodynamic model can be even used for predictive purposes.

  8. Workshop on advances in smooth particle hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Wingate, C.A.; Miller, W.A.

    1993-12-31

    This proceedings contains viewgraphs presented at the 1993 workshop held at Los Alamos National Laboratory. Discussed topics include: negative stress, reactive flow calculations, interface problems, boundaries and interfaces, energy conservation in viscous flows, linked penetration calculations, stability and consistency of the SPH method, instabilities, wall heating and conservative smoothing, tensors, tidal disruption of stars, breaking the 10,000,000 particle limit, modelling relativistic collapse, SPH without H, relativistic KSPH avoidance of velocity based kernels, tidal compression and disruption of stars near a supermassive rotation black hole, and finally relativistic SPH viscosity and energy.

  9. Tridimensional modelling and resource estimation of the mining waste piles of São Domingos mine, Iberian Pyrite Belt, Portugal

    Science.gov (United States)

    Vieira, Alexandre; Matos, João; Lopes, Luis; Martins, Ruben

    2016-04-01

    Located in the Iberian Pyrite Belt (IPB) northern sector, near the Portuguese/Spanish border, the outcropping São Domingos deposit was mined since Roman time. Between 1854 and 1966 the Mason & Barry Company developed open pit excavation until 120 m depth and underground mining until 420 m depth. The São Domingos subvertical deposit is associated with felsic volcanics and black shales of the IPB Volcano-Sedimentary Complex and is represented by massive sulphide and stockwork ore (py, cpy, sph, ga, tt, aspy) and related supergene enrichment ore (hematite gossan and covellite/chalcocite). Different mine waste classes were mapped around the old open pit: gossan (W1), felsic volcanic and shales (W2), shales (W3) and mining waste landfill (W4). Using the LNEG (Portuguese Geological Survey) CONASA database (company historical mining waste characterization based on 162 shafts and 160 reverse circulation boreholes), a methodology for tridimensional modelling mining waste pile was followed, and a new mining waste resource is presented. Considering some constraints to waste removal, such as the Mina de São Domingos village proximity of the wastes, the industrial and archaeological patrimony (e.g., mining infrastructures, roman galleries), different resource scenarios were considered: unconditioned resources (total estimates) and conditioned resources (only the volumes without removal constraints considered). Using block modelling (SURPAC software) a mineral inferred resource of 2.38 Mt @ 0.77 g/t Au and 8.26 g/t Ag is estimated in unconditioned volumes of waste. Considering all evaluated wastes, including village areas, an inferred resource of 4.0 Mt @ 0.64 g/t Au and 7.30 g/t Ag is presented, corresponding to a total metal content of 82,878 oz t Au and 955,753 oz t Ag. Keywords. São Domingos mine, mining waste resources, mining waste pile modelling, Iberian Pyrite Belt, Portugal

  10. Collision of the glass shards with the eye: A computational fluid-structure interaction model.

    Science.gov (United States)

    Karimi, Alireza; Razaghi, Reza; Biglari, Hasan; Sera, Toshihiro; Kudo, Susumu

    2017-12-27

    The main stream of blunt trauma injuries has been reported to be related to the automobile crashes, sporting activities, and military operations. Glass shards, which can be induced due to car accident, earthquake, gunshot, etc., might collide with the eye and trigger substantial scarring and, consequently, permanently affect the vision. The complications as a result of the collision with the eye and its following injuries on each component of the eye are difficult to be diagnosed. The objective of this study was to employ a Three-Dimensional (3D) computational Fluid-Structure Interaction (FSI) model of the human eye to assess the results of the glass shards collision with the eye. To do this, a rigid steel-based object hit a Smoothed-Particle Hydrodynamics (SPH) glass wall at the velocities of 100, 150, and 200 m/s and, subsequently, the resultant glass shards moved toward the eye. The amount of injury, then, quantified in terms of the stresses and strains. The results revealed the highest amount of stress in the cornea while the lowest one was observed in the vitreous body. It was also found that increasing the speed of the glass shards amplifies the amount of the stress in the components which are located in the central anterior zone of the eye, such as the cornea, aqueous body, and iris. However, regarding those components located in the peripheral/posterior side of the eye, especially the optic nerve, by increasing the amount of velocity a reduction in the stresses was observed and the optic nerve is hardly damaged. These findings have associations not only for understanding the amount of stresses/strains in the eye components at three different velocities, but also for providing preliminary information for the ophthalmologists to have a better diagnosis after glass shards (small objects impact) injuries to the eye. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Systemic delivery of a glucosylceramide synthase inhibitor reduces CNS substrates and increases lifespan in a mouse model of type 2 Gaucher disease.

    Directory of Open Access Journals (Sweden)

    Mario A Cabrera-Salazar

    Full Text Available Neuropathic Gaucher disease (nGD, also known as type 2 or type 3 Gaucher disease, is caused by a deficiency of the enzyme glucocerebrosidase (GC. This deficiency impairs the degradation of glucosylceramide (GluCer and glucosylsphingosine (GluSph, leading to their accumulation in the brains of patients and mouse models of the disease. These accumulated substrates have been thought to cause the severe neuropathology and early death observed in patients with nGD and mouse models. Substrate accumulation is evident at birth in both nGD mouse models and humans affected with the most severe type of the disease. Current treatment of non-nGD relies on the intravenous delivery of recombinant human glucocerebrosidase to replace the missing enzyme or the administration of glucosylceramide synthase inhibitors to attenuate GluCer production. However, the currently approved drugs that use these mechanisms do not cross the blood brain barrier, and thus are not expected to provide a benefit for the neurological complications in nGD patients. Here we report the successful reduction of substrate accumulation and CNS pathology together with a significant increase in lifespan after systemic administration of a novel glucosylceramide synthase inhibitor to a mouse model of nGD. To our knowledge this is the first compound shown to cross the blood brain barrier and reduce substrates in this animal model while significantly enhancing its lifespan. These results reinforce the concept that systemically administered glucosylceramide synthase inhibitors could hold enhanced therapeutic promise for patients afflicted with neuropathic lysosomal storage diseases.

  12. Systemic delivery of a glucosylceramide synthase inhibitor reduces CNS substrates and increases lifespan in a mouse model of type 2 Gaucher disease.

    Science.gov (United States)

    Cabrera-Salazar, Mario A; Deriso, Matthew; Bercury, Scott D; Li, Lingyun; Lydon, John T; Weber, William; Pande, Nilesh; Cromwell, Mandy A; Copeland, Diane; Leonard, John; Cheng, Seng H; Scheule, Ronald K

    2012-01-01

    Neuropathic Gaucher disease (nGD), also known as type 2 or type 3 Gaucher disease, is caused by a deficiency of the enzyme glucocerebrosidase (GC). This deficiency impairs the degradation of glucosylceramide (GluCer) and glucosylsphingosine (GluSph), leading to their accumulation in the brains of patients and mouse models of the disease. These accumulated substrates have been thought to cause the severe neuropathology and early death observed in patients with nGD and mouse models. Substrate accumulation is evident at birth in both nGD mouse models and humans affected with the most severe type of the disease. Current treatment of non-nGD relies on the intravenous delivery of recombinant human glucocerebrosidase to replace the missing enzyme or the administration of glucosylceramide synthase inhibitors to attenuate GluCer production. However, the currently approved drugs that use these mechanisms do not cross the blood brain barrier, and thus are not expected to provide a benefit for the neurological complications in nGD patients. Here we report the successful reduction of substrate accumulation and CNS pathology together with a significant increase in lifespan after systemic administration of a novel glucosylceramide synthase inhibitor to a mouse model of nGD. To our knowledge this is the first compound shown to cross the blood brain barrier and reduce substrates in this animal model while significantly enhancing its lifespan. These results reinforce the concept that systemically administered glucosylceramide synthase inhibitors could hold enhanced therapeutic promise for patients afflicted with neuropathic lysosomal storage diseases.

  13. WiSPH: A Wireless Sensor Network-Based Home Care Monitoring System

    Directory of Open Access Journals (Sweden)

    Pedro Magaña-Espinoza

    2014-04-01

    Full Text Available This paper presents a system based on WSN technology capable of monitoring heart rate and the rate of motion of seniors within their homes. The system is capable of remotely alerting specialists, caretakers or family members via a smartphone of rapid physiological changes due to falls, tachycardia or bradycardia. This work was carried out using our workgroup’s WiSe platform, which we previously developed for use in WSNs. The proposed WSN architecture is flexible, allowing for greater scalability to better allow event-based monitoring. The architecture also provides security mechanisms to assure that the monitored and/or stored data can only be accessed by authorized individuals or devices. The aforementioned characteristics provide the network versatility and solidity required for use in health applications.

  14. WiSPH: a wireless sensor network-based home care monitoring system.

    Science.gov (United States)

    Magaña-Espinoza, Pedro; Aquino-Santos, Raúl; Cárdenas-Benítez, Néstor; Aguilar-Velasco, José; Buenrostro-Segura, César; Edwards-Block, Arthur; Medina-Cass, Aldo

    2014-04-22

    This paper presents a system based on WSN technology capable of monitoring heart rate and the rate of motion of seniors within their homes. The system is capable of remotely alerting specialists, caretakers or family members via a smartphone of rapid physiological changes due to falls, tachycardia or bradycardia. This work was carried out using our workgroup's WiSe platform, which we previously developed for use in WSNs. The proposed WSN architecture is flexible, allowing for greater scalability to better allow event-based monitoring. The architecture also provides security mechanisms to assure that the monitored and/or stored data can only be accessed by authorized individuals or devices. The aforementioned characteristics provide the network versatility and solidity required for use in health applications.

  15. SEREN - a new SPH code for star and planet formation simulations Algorithms and tests

    Czech Academy of Sciences Publication Activity Database

    Hubber, D.A.; Batty, C.P.; McLeod, Andrew; Whitworth, A.

    2011-01-01

    Roč. 529, May (2011), A27/1-A27/28 ISSN 0004-6361 Institutional research plan: CEZ:AV0Z10030501 Keywords : hydrodynamics * numerical methods * star s formation Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.587, year: 2011

  16. An Accurate Timescale for Star Formation and Chemical Enrichment of the Sculptor dSph

    NARCIS (Netherlands)

    de Boer, T. J. L.; Tolstoy, E.; Saha, A.; Olsen, K.; Koleva, M; Prugniel, P; Vauglin,

    The Sculptor dwarf Spheroidal is a Milky Way satellite with a dominant old (>10 Gyr) population that displays at least two distinct stellar populations. We present new sensitive imaging data from CTIO/MOSAIC and make a detailed study of the stellar populations of Sculptor, including the main

  17. Insights from Synthetic Star-forming Regions. I. Reliable Mock Observations from SPH Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Koepferl, Christine M.; Robitaille, Thomas P.; Biscani, Francesco [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Dale, James E., E-mail: koepferl@usm.lmu.de [University Observatory Munich, Scheinerstr. 1, D-81679 Munich (Germany)

    2017-11-01

    Through synthetic observations of a hydrodynamical simulation of an evolving star-forming region, we assess how the choice of observational techniques affects the measurements of properties that trace star formation. Testing and calibrating observational measurements requires synthetic observations that are as realistic as possible. In this part of the series (Paper I), we explore different techniques for mapping the distributions of densities and temperatures from the particle-based simulations onto a Voronoi mesh suitable for radiative transfer and consequently explore their accuracy. We further test different ways to set up the radiative transfer in order to produce realistic synthetic observations. We give a detailed description of all methods and ultimately recommend techniques. We have found that the flux around 20 μ m is strongly overestimated when blindly coupling the dust radiative transfer temperature with the hydrodynamical gas temperature. We find that when instead assuming a constant background dust temperature in addition to the radiative transfer heating, the recovered flux is consistent with actual observations. We present around 5800 realistic synthetic observations for Spitzer and Herschel bands, at different evolutionary time-steps, distances, and orientations. In the upcoming papers of this series (Papers II, III, and IV), we will test and calibrate measurements of the star formation rate, gas mass, and the star formation efficiency using our realistic synthetic observations.

  18. Jeunes, pauvreté et utilisation des TIC - nouvelles sphères ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Les TIC peuvent englober les réseaux sociaux (comme Facebook et Twitter), les communautés virtuelles (comme Idealist et TakingITGlobal) et les plateformes de diffusion de contenu multimédia (comme YouTube, MySpace et Youth Media Exchange Project). Ce projet servira à documenter la manière dont les jeunes ...

  19. Fluid-structure interaction by the mixed SPH-FE method with application to aircraft ditching

    Directory of Open Access Journals (Sweden)

    P Groenenboom

    2016-10-01

    Full Text Available This paper deals with numerical simulation of fluid-structure interaction as it occurs during aircraft ditching – an emergency condition where an aircraft is forced to land on water. The work is motivated by the requirement for aircraft manufactures to analyze ditching as part of the aircraft certification process requested by airworthiness authorities. The strong interaction of highly non-linear fluid flow phenomena and structural responses requires a coupled solution of this transient problem. Therefore, an approach coupling Smoothed Particle Hydrodynamics and the Finite Element method within the commercial, explicit software Virtual Performance Solutions has been pursued. In this paper, several innovative features are presented, which allow for accurate and efficient solution. Finally, exemplary numerical results are successfully compared to experimental data from a unique test campaign of guided ditching tests at quasi-full scale impact conditions. It may be concluded that through the application of state-of-the-art numerical techniques it has become possible to simulate the coupled fluidstructure interaction as occurring during ditching. Therefore, aircraft manufacturers may significantly benefit from numerical analysis for design and certification purposes.

  20. SuPer-Homogenization (SPH) Corrected Cross Section Generation for High Temperature Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ramazan Sonat [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hummel, Andrew John [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hiruta, Hikaru [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2017-03-01

    The deterministic full core simulators require homogenized group constants covering the operating and transient conditions over the entire lifetime. Traditionally, the homogenized group constants are generated using lattice physics code over an assembly or block in the case of prismatic high temperature reactors (HTR). For the case of strong absorbers that causes strong local depressions on the flux profile require special techniques during homogenization over a large volume. Fuel blocks with burnable poisons or control rod blocks are example of such cases. Over past several decades, there have been a tremendous number of studies performed for improving the accuracy of full-core calculations through the homogenization procedure. However, those studies were mostly performed for light water reactor (LWR) analyses, thus, may not be directly applicable to advanced thermal reactors such as HTRs. This report presents the application of SuPer-Homogenization correction method to a hypothetical HTR core.

  1. Size and density sorting of dust grains in SPH simulations of protoplanetary discs

    Science.gov (United States)

    Pignatale, F. C.; Gonzalez, J.-F.; Cuello, Nicolas; Bourdon, Bernard; Fitoussi, Caroline

    2017-07-01

    The size and density of dust grains determine their response to gas drag in protoplanetary discs. Aerodynamical (size × density) sorting is one of the proposed mechanisms to explain the grain properties and chemical fractionation of chondrites. However, the efficiency of aerodynamical sorting and the location in the disc in which it could occur are still unknown. Although the effects of grain sizes and growth in discs have been widely studied, a simultaneous analysis including dust composition is missing. In this work, we present the dynamical evolution and growth of multicomponent dust in a protoplanetary disc using a 3D, two-fluid (gas+dust) smoothed particle hydrodynamics code. We find that the dust vertical settling is characterized by two phases: a density-driven phase that leads to a vertical chemical sorting of dust and a size-driven phase that enhances the amount of lighter material in the mid-plane. We also see an efficient radial chemical sorting of the dust at large scales. We find that dust particles are aerodynamically sorted in the inner disc. The disc becomes sub-solar in its Fe/Si ratio on the surface since the early stage of evolution but sub-solar Fe/Si can be also found in the outer disc-mid-plane at late stages. Aggregates in the disc mimic the physical and chemical properties of chondrites, suggesting that aerodynamical sorting played an important role in determining their final structure.

  2. Chefferies traditionnelles, autochtonie et construction d'une sphère ...

    African Journals Online (AJOL)

    chifaou.amzat

    bien d'autres postes politiques locaux, notamment celui de député. Cependant .... cet acquis, quelles stratégies les Mbo devraient-ils utiliser ? Quelles ..... Les Bamiléké sont célébrés et se célèbrent pour leur esprit d'entreprise, leur sens ..... différenciés des citoyens camerounais en matière de recrutement aux emplois de la ...

  3. Jeunes, pauvreté et utilisation des TIC - nouvelles sphères ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Or, le pays affiche le quatrième plus haut taux de violence chez les jeunes dans le monde, et les homicides demeurent la principale cause de décès chez les jeunes adultes. Les jeunes des ... Digital Media. In Chile, a mobilized, invigorated civil society is using new digital technologies to transform political participation.

  4. SPH simulations of star/planet formation triggered by cloud-cloud collisions

    OpenAIRE

    Kitsionas, Spyridon; Whitworth, Anthony Peter; Klessen, Ralf S.

    2007-01-01

    We present results of hydrodynamic simulations of star formation triggered by cloud-cloud collisions. During the early stages of star formation, low-mass objects form by gravitational instabilities in protostellar discs. A number of these low-mass objects are in the sub-stellar mass range, including a few objects of planetary mass. The disc instabilities that lead to the formation of low-mass objects in our simulations are the product of disc-disc interactions and/or interactions between the ...

  5. A Novel Multiscale QM-MD-SPH Computational Method for Heterogeneous Multicomponent Reactive Systems

    Science.gov (United States)

    2017-11-30

    as well as EOS. Aluminum is a common metal used in everyday life . The advantage of using aluminum as an ingredient in aluminized explosives is...properties and equations of state of Iron under extreme conditions Iron is one of the most important metals in everyday life . It is the most common...element in the whole planet Earth, forming much of Earth’s outer and inner core. Iron is the mostly used metal case for explosives. To have better

  6. Cu−In−Ga−S quantum dot composition-dependent device performance of electrically driven light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong-Hoon; Lee, Ki-Heon; Jo, Dae-Yeon; Yang, Heesun, E-mail: hyang@hongik.ac.kr [Department of Materials Science and Engineering, Hongik University, Seoul 121-791 (Korea, Republic of); Lee, Yangjin; Hwang, Jun Yeon [Institute of Advanced Composite Materials, Korea Institute of Science and Technology, Jeonbuk 565-905 (Korea, Republic of)

    2014-09-29

    Colloidal synthesis of ternary and quaternary quantum dots (QDs) of In/Ga ratio-varied Cu−In{sub 1−x}−Ga{sub x}−S (CIGS) with nominal x = 0, 0.5, 0.7, and 1 and their application for the fabrication of quantum dot-light-emitting diodes (QLEDs) are reported. Four QLEDs having CIGS QDs with different compositions are all solution-processed in the framework of multilayered structure, where QD emitting layer is sandwiched by hybrid charge transport layers of poly(9-vinlycarbazole) and ZnO nanoparticles. The device performance such as luminance and efficiency is found to be strongly dependent on the composition of CIGS QDs, and well interpreted by the device energy level diagram proposed through the determination of QD valence band minima by photoelectron emission spectroscopic measurement.

  7. Paleofield determination from compositional dependent magnetic minerals within meteorites that post cooled down through their blocking temperatures

    Czech Academy of Sciences Publication Activity Database

    Kletetschka, Günther; Wieczorek, M.

    2016-01-01

    Roč. 51, SI, Supplement 1 (2016), A374-A374 ISSN 1086-9379. [Annual Meeting of the Meteoritical Society /79./. 07.08.2016-12.08.2016, Berlin] Institutional support: RVO:67985831 Keywords : theory of remanence * magnetic minerals * magnetic anomalies Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics

  8. Composition dependence of structural and optical properties in epitaxial Sr(Sn1-xTix)O3 films

    Science.gov (United States)

    Liu, Qinzhuang; Li, Bing; Li, Hong; Dai, Kai; Zhu, Guangping; Wang, Wei; Zhang, Yongxing; Gao, Guanyin; Dai, Jianming

    2015-03-01

    Epitaxial Sr(Sn1-xTix)O3 (SSTO, x = 0-1) thin films were grown on MgO substrates by a pulsed laser deposition technique. The effects of composition on the structural and optical properties of SSTO films were investigated. X-ray diffraction studies show that the lattice parameter decreases from 4.041 to 3.919 Å gradually with increasing Ti content from 0 to 1 in SSTO films. Optical spectra analysis reveals that the band gap energy Eg decreases continuously from 4.44 to 3.78 eV over the entire doping range, which is explained by the decreasing degree of octahedral tilting distortion and thus the increasing tolerance factor caused by the increasing small-Ti-ion doping concentration.

  9. The compositional dependence of irradiation creep of austenitic alloys irradiated in PFR at 420{degrees}C

    Energy Technology Data Exchange (ETDEWEB)

    Toloczko, M.B.; Garner, F.A. [Pacific Northwest National Lab., Richland, WA (United States); Munro, B. [AEA Technology, Dounreay (United Kingdom)] [and others

    1997-04-01

    Irradiation creep data are expensive and often difficult to obtain, especially when compared to swelling data. This requires that maximum use be made of available data sources in order to elucidate the parametric dependencies of irradiation creep for application to new alloys and to new environments such as those of proposed fusion environments. One previously untapped source of creep data is that of a joint U.S./U.K. experiment conducted in the Prototype Fast Reactor (PFR) in Dounreay, Scotland. In this experiment, five austenitic steels were irradiated in a variety of starting conditions. In particular, these steels spanned a large range (15-40%) of nickel contents, and contained strong variations in Mo, Ti, Al, and Nb. Some alloys were solution-strengthened and some were precipitation-strengthened. Several were cold-worked. These previously unanalyzed data show that at 420{degrees}C all austenitic steels have a creep compliance that is roughly independent of the composition of the steel at 2{+-}1 x 10{sup {minus}6}MPa{sup {minus}1} dpa{sup {minus}1}. The variation within this range may arise from the inability to completely separate the non-creep strains arising from precipitation reactions and the stress-enhancement of swelling. Each of these can be very sensitive to the composition and starting treatment of a steel.

  10. A composition dependent energy scale and the determination of the cosmic ray primary mass in the ankle region

    Science.gov (United States)

    Supanitsky, A. D.; Etchegoyen, A.; Melo, D.; Sanchez, F.

    2015-08-01

    At present there are still several open questions about the origin of the ultra high energy cosmic rays. However, great progress in this area has been made in recent years due to the data collected by the present generation of ground based detectors like the Pierre Auger Observatory and Telescope Array. In particular, it is believed that the study of the composition of the cosmic rays as a function of energy can play a fundamental role for the understanding of the origin of the cosmic rays. The observatories belonging to this generation are composed of arrays of surface detectors and fluorescence telescopes. The duty cycle of the fluorescence telescopes is ∼10% in contrast with the ∼100% of the surface detectors. Therefore, the energy calibration of the events observed by the surface detectors is performed by using a calibration curve obtained from a set of high quality events observed in coincidence by both types of detectors. The advantage of this method is that the reconstructed energy of the events observed by the surface detectors becomes almost independent of simulations of the showers because just a small part of the reconstructed energy (the missing energy), obtained from the fluorescence telescopes, comes from simulations. However, the calibration curve obtained in this way depends on the composition of the cosmic rays, which can introduce biases in composition analyses when parameters with a strong dependence on primary energy are considered. In this work we develop an analytical method to study these effects. We consider AMIGA (Auger Muons and Infill for the Ground Array), the low energy extension of the Pierre Auger Observatory corresponding to the surface detectors, to illustrate the use of the method. In particular, we study the biases introduced by an energy calibration dependent on composition on the determination of the mean value of the number of muons, at a given distance to the showers axis, which is one of the parameters most sensitive to primary mass and has an almost linear dependence with primary energy.

  11. Composition-dependent trap distributions in CdSe and InP quantum dots probed using photoluminescence blinking dynamics.

    Science.gov (United States)

    Chung, Heejae; Cho, Kyung-Sang; Koh, Weon-Kyu; Kim, Dongho; Kim, Jiwon

    2016-07-21

    Although Group II-VI quantum dots (QDs) have attracted much attention due to their wide range of applications in QD-based devices, the presence of toxic ions in II-VI QDs raises environmental concerns. To fulfill the demands of nontoxic QDs, synthetic routes for III-V QDs have been developed. However, only a few comparative analyses on optical properties of III-V QDs have been performed. In this study, the composition-related energetic trap distributions have been explored by using three different types of core/multishell QDs: CdSe-CdS (CdSe/CdS/ZnS), InP-ZnSe (InP/ZnSe/ZnS), and InP-GaP (InP/GaP/ZnS). It was shown that CdSe-CdS QDs have much larger trap densities than InP-shell QDs at higher energy states (at least 1Eg (band gap energy) above the lowest conduction band edge) based on probability density plots and Auger ionization efficiencies which are determined by analyses of photoluminescence blinking dynamics. This result suggests that the composition of encapsulated QDs is closely associated with the charge trapping processes, and also provides an insight into the development of more environmentally friendly QD-based devices.

  12. Composition dependent selectivity in the coadsorption of H2O and CO on pure and binary silver-gold clusters

    Science.gov (United States)

    Fleischer, Irene; Popolan, Denisia M.; Krstić, Marjan; Bonačić-Koutecký, Vlasta; Bernhardt, Thorsten M.

    2013-04-01

    Small cationic gold clusters exhibit a strong affinity toward carbon monoxide. This prevents the coadsorption of water which would be the first step of a catalytic water gas shift chemistry on these clusters. In a gas phase ion trap experiment with mass selected AgnAum+ it was however possible to demonstrate that the replacement of gold by silver atoms in triatomic cluster ions liberates sites for H2O adsorption. The resulting observed coadsorption effect occurs at a cross-over in the molecular binding energies of carbon monoxide and water to these clusters determined by reaction kinetics measurements and first principles calculations.

  13. Strong composition-dependence on glass-forming ability in Ni-(Ti,Zr)-Si pseudo-ternary alloys

    International Nuclear Information System (INIS)

    Yang, H.; Wang, J.Q.; Li, Y.

    2006-01-01

    The glass formation in Ni-(Ti,Zr)-Si pseudo-ternary alloys was studied. For suction casting, by carefully adjusting the alloy composition and studying the microstructure changes, the best glass-forming alloy with a 2 mm diameter is pinpointed in a narrow composition region of 57.5-58.5 at.% Ni, 36.5-38.5 at.% (Ti + Zr) and 5-5.5 at.% Si. The main competing crystalline phases, identified by XRD and SEM, were Ni 10 (Zr,Ti) 7 , Ni(Ti,Zr) and an unidentified Si-containing phase. Our results indicate a clear need for monitoring the microstructure change in the cross section of the ingots to locate the best glass-forming alloys

  14. Composition dependence of the synergistic effect of nucleating agent and plasticizer in poly(lactic acid: A Mixture Design study

    Directory of Open Access Journals (Sweden)

    M. K. Fehri

    2016-04-01

    Full Text Available Blends consisting of commercial poly(lactic acid (PLA, poly(lactic acid oligomer (OLA8 as plasticizer and a sulfonic salt of a phthalic ester and poly(D-lactic acid as nucleating agents were prepared by melt extrusion, following a Mixture Design approach, in order to systematically study mechanical and thermal properties as a function of composition. The full investigation was carried out by differential scanning calorimetry (DSC, dynamic mechanical thermal analysis (DMTA and tensile tests. The crystallization half-time was also studied at 105 °C as a function of the blends composition. A range of compositions in which the plasticizer and the nucleation agent minimized the crystallization half-time in a synergistic way was clearly identified thanks to the application of the Mixture Design approach. The results allowed also the identification of a composition range to maximize the crystallinity developed during the rapid cooling below glass transition temperature in injection moulding, thus allowing an easier processing of PLA based materials. Moreover the mechanical properties were discussed by correlating them to the chemical structural features and thermal behaviour of blends.

  15. The composition dependence of magnetic, electronic and optical properties of Mn-doped SixGe1-x nanowires

    Science.gov (United States)

    Wei, Jianglin; Lan, Mu; Zhang, Xi; Xiang, Gang

    2017-07-01

    Mn-doped SixGe1-x nanowires (NWs) with different Ge concentrations have been studied by first-principles calculations. It is found that the spin dependent energy bands of the NWs show rich variations both in bandgap width and type (from indirect to direct) as the Ge concentration changes. The Mn-doped SixGe1-x NWs exhibit half-metallic characteristics for all Ge concentrations, and the ground states of the NWs are found to be ferromagnetic (FM). The net magnetization mapping and spin density of states calculations reveal that Mn 3d electrons have a strong hybridization effect with nearest Ge 4p electrons, which results in the Ge’s nontrivial contribution to the magnetic moment of the NWs. Further magnon dispersion studies show that the magnetic order stability of the NWs is influenced by Ge concentrations. Finally, the dependence of the optical properties of the magnetic NWs on the Ge concentration is demonstrated. Our results suggest that Mn-doped SixGe1-x NWs may be useful in spintronic and optoelectronic devices.

  16. Composition dependent structural and optical properties of PbF₂-TeO₂-B₂O₃-Eu₂O₃ glasses.

    Science.gov (United States)

    Wagh, Akshatha; Raviprakash, Y; Upadhyaya, Vyasa; Kamath, Sudha D

    2015-12-05

    Boric oxide based quaternary glasses in the system PbF2-TeO2-B2O3-Eu2O3 have been prepared by melt quenching technique. Density, molar volume, FTIR, UV-Vis techniques were used to probe the structural modifications with incorporation of europium ions in the glass network. An increase in glass density & decrease in molar volume (Vm) values proved the structural changes occurring in coordination of boron atom [conversion of BO3 units to BO4]. This resulted in the increase of the compaction of the prepared glasses with increase in Eu2O3 contents. The amorphous natures of the samples were ascertained by XRD and metallization criterion (M) studies. XPS study showed the values of core-level binding energy [O1s, Eu3d, Eu4d, Te3d, Te4d, Pd4f, Pb5d, O1s, and F1s] of (PbF2-TeO2-B2O3-Eu2O3) the glass matrix. The frequency and temperature dependence of dielectric properties of present glasses were investigated in the frequency range of 1 Hz-10 MHz and temperature range of 313-773K. The study of dielectric measurements proved good insulating and thermal stability of the prepared glasses. At room temperature, dielectric loss [tanδ] values were negligibly small for prepared glasses and increased with increase in temperature. FTIR spectroscopy results were in good agreement with optical band energy gap, density, molar volume and hardness values revealing network modifications caused by europium ions in the glass structure. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Structural characterization and compositional dependence of the optical properties of Ge-Ga-La-S chalcohalide glass system

    Science.gov (United States)

    Li, Lini; Jiao, Qing; Lin, Changgui; Dai, Shixun; Nie, Qiuhua

    2018-04-01

    In this paper, chalcogenide glasses of 80GeS2sbnd (20sbnd x)Ga2S3sbnd xLa2S3 (x = 0, 1, 3, 5 mol%) were synthesized through the traditional melt-quenching technique. The effects of La2S3 addition on the thermal, optical, and structural properties of Gesbnd Gasbnd S glasses were investigated. Results showed that the synthesized glasses possessed considerably high glass transition temperature, improved glass forming ability, high refractive index, and excellent infrared transmittance. A redshift at the visible absorbing cut-off edge lower than 500 nm was observed with increasing of La2S3 content. Direct and indirect optical band gap values were calculated. SEM result suggested that this glass system owned better glass forming ability and uniformity. Raman spectral analysis indicated that the introduction of La2S3 induced the dissociation of Gesbnd Ge metal bonds and transformed the [S3Gesbnd GeS3] structure to GeS4 tetrahedrons. Consequently, the connectivity between tetrahedrons of the vitreous network was enhanced. This work suggests that La2S3 modified Ge-Gasbnd Lasbnd S glass is a promising material for infrared optical research.

  18. Size- and composition-dependent toxicity of synthetic and soil-derived Fe oxide colloids for the nematode Caenorhabditis elegans.

    Science.gov (United States)

    Höss, Sebastian; Fritzsche, Andreas; Meyer, Carolin; Bosch, Julian; Meckenstock, Rainer U; Totsche, Kai Uwe

    2015-01-06

    Colloidal iron oxides (FeOx) are increasingly released to the environment due to their use in environmental remediation and biomedical applications, potentially harming living organisms. Size and composition could affect the bioavailability and toxicity of such colloids. Therefore, we investigated the toxicity of selected FeOx with variable aggregate size and variably composed FeOx-associated organic matter (OM) toward the nematode Caenorhabditis elegans. Ferrihydrite colloids containing citrate were taken up by C. elegans with the food and accumulated inside their body. The toxicity of ferrihydrite, goethite, and akaganeite was dependent on aggregate size and specific surface area, with EC50 values for reproduction ranging from 4 to 29 mg Fe L(-1). Experiments with mutant strains lacking mitochondrial superoxide dismutase (sod-2) showed oxidative stress for two FeOx and Fe(3+)-ions, however, revealed that it was not the predominant mechanism of toxicity. The OM composition determined the toxicity of mixed OM-FeOx phases on C. elegans. FeOx associated with humic acids or citrate were less toxic than OM-free FeOx. In contrast, soil-derived ferrihydrite, containing proteins and polysaccharides from mobile OM, was even more toxic than OM-free Fh of similar aggregate size. Consequently, the careful choice of the type of FeOx and the type of associated OM may help in reducing the ecological risks if actively applied to the subsurface.

  19. Sphingosine kinase-1 is central to androgen-regulated prostate cancer growth and survival.

    Directory of Open Access Journals (Sweden)

    Audrey Dayon

    Full Text Available BACKGROUND: Sphingosine kinase-1 (SphK1 is an oncogenic lipid kinase notably involved in response to anticancer therapies in prostate cancer. Androgens regulate prostate cancer cell proliferation, and androgen deprivation therapy is the standard of care in the management of patients with advanced disease. Here, we explored the role of SphK1 in the regulation of androgen-dependent prostate cancer cell growth and survival. METHODOLOGY/PRINCIPAL FINDINGS: Short-term androgen removal induced a rapid and transient SphK1 inhibition associated with a reduced cell growth in vitro and in vivo, an event that was not observed in the hormono-insensitive PC-3 cells. Supporting the critical role of SphK1 inhibition in the rapid effect of androgen depletion, its overexpression could impair the cell growth decrease. Similarly, the addition of dihydrotestosterone (DHT to androgen-deprived LNCaP cells re-established cell proliferation, through an androgen receptor/PI3K/Akt dependent stimulation of SphK1, and inhibition of SphK1 could markedly impede the effects of DHT. Conversely, long-term removal of androgen support in LNCaP and C4-2B cells resulted in a progressive increase in SphK1 expression and activity throughout the progression to androgen-independence state, which was characterized by the acquisition of a neuroendocrine (NE-like cell phenotype. Importantly, inhibition of the PI3K/Akt pathway--by negatively impacting SphK1 activity--could prevent NE differentiation in both cell models, an event that could be mimicked by SphK1 inhibitors. Fascinatingly, the reversability of the NE phenotype by exposure to normal medium was linked with a pronounced inhibition of SphK1 activity. CONCLUSIONS/SIGNIFICANCE: We report the first evidence that androgen deprivation induces a differential effect on SphK1 activity in hormone-sensitive prostate cancer cell models. These results also suggest that SphK1 activation upon chronic androgen deprivation may serve as a

  20. Modelling the evolution of composition-and stress-depth profiles in austenitic stainless steels during low-temperature nitriding

    DEFF Research Database (Denmark)

    Jespersen, Freja Nygaard; Hattel, Jesper Henri; Somers, Marcel A. J.

    2016-01-01

    . In the present paper solid mechanics was combined with thermodynamics and diffusion kinetics to simulate the evolution of composition-depth and stress-depth profiles resulting from nitriding. The model takes into account a composition-dependent diffusion coefficient of nitrogen in expanded austenite, short range......Nitriding of stainless steel causes a surface zone of expanded austenite, which improves the wear resistance of the stainless steel while preserving the stainless behaviour. During nitriding huge residual stresses are introduced in the treated zone, arising from the volume expansion...... that accompanies the dissolution of high nitrogen contents in expanded austenite. An intriguing phenomenon during low-temperature nitriding is that the residual stresses evoked by dissolution of nitrogen in the solid state, affect the thermodynamics and the diffusion kinetics of nitrogen dissolution...

  1. Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

    Science.gov (United States)

    Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

    2015-01-01

    , after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

  2. Simulating coupled dynamics of a rigid-flexible multibody system and compressible fluid

    Science.gov (United States)

    Hu, Wei; Tian, Qiang; Hu, HaiYan

    2018-04-01

    As a subsequent work of previous studies of authors, a new parallel computation approach is proposed to simulate the coupled dynamics of a rigid-flexible multibody system and compressible fluid. In this approach, the smoothed particle hydrodynamics (SPH) method is used to model the compressible fluid, the natural coordinate formulation (NCF) and absolute nodal coordinate formulation (ANCF) are used to model the rigid and flexible bodies, respectively. In order to model the compressible fluid properly and efficiently via SPH method, three measures are taken as follows. The first is to use the Riemann solver to cope with the fluid compressibility, the second is to define virtual particles of SPH to model the dynamic interaction between the fluid and the multibody system, and the third is to impose the boundary conditions of periodical inflow and outflow to reduce the number of SPH particles involved in the computation process. Afterwards, a parallel computation strategy is proposed based on the graphics processing unit (GPU) to detect the neighboring SPH particles and to solve the dynamic equations of SPH particles in order to improve the computation efficiency. Meanwhile, the generalized-alpha algorithm is used to solve the dynamic equations of the multibody system. Finally, four case studies are given to validate the proposed parallel computation approach.

  3. Contribution of a 3D ray tracing model in a complex medium to the localization of infra-sound sources

    International Nuclear Information System (INIS)

    Mialle, Pierrick

    2007-01-01

    Localisation of infra-sound sources is a difficult task due to large propagation distances at stake and because of the atmospheric complexity. In order to resolve this problem, one can seek as many necessary information as the comprehension of wave propagation, the role and influence of the atmosphere and its spatio-temporal variations, the knowledge of sources and detection parameters, but also the configuration of the stations and their global spreading. Two methods based on the construction of propagation tables depending on station, date and time are introduced. Those tables require a long range propagation tool to simulate the propagation through a complex medium, which are carried out by WASP-3D Sph a 3D paraxial ray tracing based-theory tool integrating both amplitude estimation and horizontal wind fields in space and time. Tables are centered on the receptor. They describe spatial variations of the main observation parameters and offer a snapshot of the atmospheric propagation depending on the range for every simulated phase. For each path, celerity, azimuth deviation, attenuation and return altitude are predicted and allow building the tables. The latter help to identify detected phases and are integrated in an accurate localization procedure. The procedure is tested on three case study, such as the explosion of gas-pipeline in Belgium 2004 near Ghislenghien, the explosion of a military facility in 2007 in Novaky, Slovakia and the explosion of the Buncefield oil depot in 2005 in the United Kingdom, where event specificities, propagation parameters and used configurations are introduced. The accuracy and optimization of the localization are discussed. A validation study is presented regarding International Monitoring System stations along a meridian - I18DK (Greenland, Denmark), I51UK (Bermuda, United Kingdom), I25FR (Guyane, France), I08BO (La Paz, Bolivia), I01AR (Paso Flores, Argentina), I02AR (Ushuaia, Argentina), I54US (Antarctica, U.S.A.) - to

  4. An implicit Smooth Particle Hydrodynamic code

    Energy Technology Data Exchange (ETDEWEB)

    Knapp, Charles E. [Univ. of New Mexico, Albuquerque, NM (United States)

    2000-05-01

    An implicit version of the Smooth Particle Hydrodynamic (SPH) code SPHINX has been written and is working. In conjunction with the SPHINX code the new implicit code models fluids and solids under a wide range of conditions. SPH codes are Lagrangian, meshless and use particles to model the fluids and solids. The implicit code makes use of the Krylov iterative techniques for solving large linear-systems and a Newton-Raphson method for non-linear corrections. It uses numerical derivatives to construct the Jacobian matrix. It uses sparse techniques to save on memory storage and to reduce the amount of computation. It is believed that this is the first implicit SPH code to use Newton-Krylov techniques, and is also the first implicit SPH code to model solids. A description of SPH and the techniques used in the implicit code are presented. Then, the results of a number of tests cases are discussed, which include a shock tube problem, a Rayleigh-Taylor problem, a breaking dam problem, and a single jet of gas problem. The results are shown to be in very good agreement with analytic solutions, experimental results, and the explicit SPHINX code. In the case of the single jet of gas case it has been demonstrated that the implicit code can do a problem in much shorter time than the explicit code. The problem was, however, very unphysical, but it does demonstrate the potential of the implicit code. It is a first step toward a useful implicit SPH code.

  5. Evaluation of high temperature mechanical properties and constitutive equation of austenitic stainless steels

    International Nuclear Information System (INIS)

    Blanchard, P.; Tortel, J.

    1986-07-01

    A large amount of experimental data on 17-12 Mo SPH (316 L SPH) stainless steel have been obtained during the last years. The aim of this paper is to illustrate by a few examples the work done in the constitutive equations area using this powerful data base. Numerous semiempirical equations have been developed to represent tensile, cyclic, creep or relaxation tests on 17-12 Mo SPH (316 L SPH) stainless steel used for building the primary loop of the SUPER PHENIX 1 reactor. These equations are necessary tools for building elastic analysis's rules. Some examples are given with specific applications. The qualitative and semiquantitative comparisons of the stress-strain behaviour (both uniaxial and biaxial) predicted by the most common constitutive equations with the actual behaviour of 17-12 Mo SPH (316 L SPH) steel, shed some light on the strengths and weaknesses of these equations. This comparison is presented and discussed. The way to more realistic equations is shown. A detailed and quantitative comparison of the capabilities of two models, the CHABOCHE model and the multilayer unified model, is presented

  6. Evaluation of high temperature mechanical properties and constitutive equation of austenitic stainless steels

    International Nuclear Information System (INIS)

    Blanchard, P.; Tortel, J.

    1985-08-01

    A large amount of experimental data (tensile tests, creep tests, cyclic strain tests, relaxation experiments and biaxial experiments) on 17-12 Mo SPH (316 L SPH) stainless steel used for building the primary loop of Super Phenix Reactor have been obtained during the last years. The aim of this paper is to illustrate by a few examples the work done in the constitutive equations area using this powerful data base. Numerous semiempirical equations have been developed to represent tensile, cyclic, creep or relaxation tests on 17-12 Mo SPH (316 L SPH) stainless steel. These equations, althrough not being able to be properly called ''constitutive equations'' in the full sense of the word, are nevertheless very useful for design studies. Actually these semiempirical equations are necessary tools for building elastic analysis's rules. Some examples of these equations are given along with specific applications (creep-fatigue rules). The qualitative and semiquantitative comparisons of the stress-strain behaviour (both uniaxial and biaxial) predicted by the most common constitutive equations (PRAGER, MEIJERS, HART, CHABOCHE, KRIEB, MILLER, ROBINSON) with the actual behaviour of 17-12 Mo SPH (316 L SPH) steel, allows us to shed some light on the strengths and weaknesses of these equations. This comparison is presented and discussed. The way to more realistic equations is shown. A detailed and quantitative comparison of the capabilities of two models, the CHABOCHE model and the multilayer unified model which has been developed is presented

  7. Advanced dielectric continuum model of preferential solvation

    Science.gov (United States)

    Basilevsky, Mikhail; Odinokov, Alexey; Nikitina, Ekaterina; Grigoriev, Fedor; Petrov, Nikolai; Alfimov, Mikhail

    2009-01-01

    A continuum model for solvation effects in binary solvent mixtures is formulated in terms of the density functional theory. The presence of two variables, namely, the dimensionless solvent composition y and the dimensionless total solvent density z, is an essential feature of binary systems. Their coupling, hidden in the structure of the local dielectric permittivity function, is postulated at the phenomenological level. Local equilibrium conditions are derived by a variation in the free energy functional expressed in terms of the composition and density variables. They appear as a pair of coupled equations defining y and z as spatial distributions. We consider the simplest spherically symmetric case of the Born-type ion immersed in the benzene/dimethylsulfoxide (DMSO) solvent mixture. The profiles of y(R ) and z(R ) along the radius R, which measures the distance from the ion center, are found in molecular dynamics (MD) simulations. It is shown that for a given solute ion z(R ) does not depend significantly on the composition variable y. A simplified solution is then obtained by inserting z(R ), found in the MD simulation for the pure DMSO, in the single equation which defines y(R ). In this way composition dependences of the main solvation effects are investigated. The local density augmentation appears as a peak of z(R ) at the ion boundary. It is responsible for the fine solvation effects missing when the ordinary solvation theories, in which z =1, are applied. These phenomena, studied for negative ions, reproduce consistently the simulation results. For positive ions the simulation shows that z ≫1 (z =5-6 at the maximum of the z peak), which means that an extremely dense solvation shell is formed. In such a situation the continuum description fails to be valid within a consistent parametrization.

  8. Predictive modeling of reactive wetting and metal joining.

    Energy Technology Data Exchange (ETDEWEB)

    van Swol, Frank B.

    2013-09-01

    The performance, reproducibility and reliability of metal joints are complex functions of the detailed history of physical processes involved in their creation. Prediction and control of these processes constitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy and reactive wetting. Understanding this process requires coupling strong molecularscale chemistry at the interface with microscopic (diffusion) and macroscopic mass transport (flow) inside the liquid followed by subsequent cooling and solidification of the new metal mixture. The final joint displays compositional heterogeneity and its resulting microstructure largely determines the success or failure of the entire component. At present there exists no computational tool at Sandia that can predict the formation and success of a braze joint, as current capabilities lack the ability to capture surface/interface reactions and their effect on interface properties. This situation precludes us from implementing a proactive strategy to deal with joining problems. Here, we describe what is needed to arrive at a predictive modeling and simulation capability for multicomponent metals with complicated phase diagrams for melting and solidification, incorporating dissolutive and composition-dependent wetting.

  9. Gibbs energy modelling of the driving forces and calculation of the fcc/hcp martensitic transformation temperatures in Fe-Mn and Fe-Mn-Si alloys

    International Nuclear Information System (INIS)

    Cotes, S.; Fernandez Guillermet, A.; Sade, M.

    1999-01-01

    Very recent, accurate dilatometric measurements of the fcc hcp martensitic transformation (MT) temperatures are used to develop a new thermodynamic description of the fcc and hcp phases in the Fe-Mn-Si system, based on phenomenological models for the Gibbs energy function. The composition dependence of the driving forces for the fcc→hcp and the hcp→fcc MTs is established. Detailed calculations of the MT temperatures are reported, which are used to investigate the systematic effects of Si additions upon the MT temperatures of Fe-Mn alloys. A critical comparison with one of the most recent thermodynamic analyses of the Fe-Mn-Si system, which is due to Forsberg and Agren, is also presented. (orig.)

  10. Determinants of Self-Perceived Health in Iranian Children and Adolescents: the CASPIAN IV Study

    Directory of Open Access Journals (Sweden)

    Hoda Zahedi

    2017-05-01

    Full Text Available Background: Health status is an individual’s relative level of wellness and illness. Self-Perceived Health (SPH is a single item considered as a health indicator for national and international survey. The aim of this study was to evaluate the SPH measure and its determinants in a National sample of Iranian children and adolescents.   Materials and Methods:  This National study was performed as the fourth National survey of a school‑based surveillance program entitled the Childhood and Adolescence Surveillance and Prevention of Adult Non-communicable Disease (CASPIAN‑IV study. 14,880 students aged 6-18 years old selected from 30 provinces of Iran by a multistage Cluster and stratified sampling method. Two sets of valid and reliable questionnaires were completed for students and their parents.   Results : Overall 13,846 participated in the present studywith 90.6 % participation. In this study, 80.5 % of boys and 79.4% of girls reported good SPH (95% confidence interval (CI, 79.3-81.6 versus 78.1-80.6, respectively. According to the living area, 79.5% from urban and 81.1% from rural area declared good SPH (95% CI, 78.6-80.5 versus 79.2-82.8, respectively. In the multivariate model, the subjects who had healthy weight compared with excess weight had significantly higher SPH (OR: 1.36; 95% CI, 1.17-1.59. Also, the subjects with high Socio-economic status (SES had higher odds of SPH (odds ratio [OR], 1.23; 95% CI, 1.06-1.41.   Conclusion: Our results showed that SPH can be influenced by both demographic and life style related characteristics among study population. This association was stronger for SPH and academic success, talking with both parents and having normal body image respectively.

  11. Sphingosine kinase 1/sphingosine-1-phosphate (S1P)/S1P receptor axis is involved in ovarian cancer angiogenesis.

    Science.gov (United States)

    Dai, Lan; Liu, Yixuan; Xie, Lei; Wu, Xia; Qiu, Lihua; Di, Wen

    2017-09-26

    Sphingosine kinase (SphK)/sphingosine-1-phosphate (S1P)/S1P receptor (S1PR) signaling pathway has been implicated in a variety of pathological processes of ovarian cancer. However, the function of this axis in ovarian cancer angiogenesis remains incompletely defined. Here we provided the first evidence that SphK1/S1P/S1PR 1/3 pathway played key roles in ovarian cancer angiogenesis. The expression level of SphK1, but not SphK2, was closely correlated with the microvascular density (MVD) of ovarian cancer tissue. In vitro , the angiogenic potential and angiogenic factor secretion of ovarian cancer cells could be attenuated by SphK1, but not SphK2, blockage and were restored by the addition of S1P. Moreover, in these cells, we found S1P stimulation induced the angiogenic factor secretion via S1PR 1 and S1PR 3 , but not S1PR 2 . Furthermore, inhibition of S1PR 1/3 , but not S1PR 2 , attenuated the angiogenic potential and angiogenic factor secretion of the cells. in vivo , blockage of SphK or S1PR 1/3 could attenuate ovarian cancer angiogenesis and inhibit angiogenic factor expression in mouse models. Collectively, the current study showed a novel role of SphK1/S1P/S1PR 1/3 axis within the ovarian cancer, suggesting a new target to block ovarian cancer angiogenesis.

  12. Modelling Practice

    DEFF Research Database (Denmark)

    Cameron, Ian; Gani, Rafiqul

    2011-01-01

    This chapter deals with the practicalities of building, testing, deploying and maintaining models. It gives specific advice for each phase of the modelling cycle. To do this, a modelling framework is introduced which covers: problem and model definition; model conceptualization; model data...... requirements; model construction; model solution; model verification; model validation and finally model deployment and maintenance. Within the adopted methodology, each step is discussedthrough the consideration of key issues and questions relevant to the modelling activity. Practical advice, based on many...

  13. Leadership Models.

    Science.gov (United States)

    Freeman, Thomas J.

    This paper discusses six different models of organizational structure and leadership, including the scalar chain or pyramid model, the continuum model, the grid model, the linking pin model, the contingency model, and the circle or democratic model. Each model is examined in a separate section that describes the model and its development, lists…

  14. LoCuSS: THE SUNYAEV–ZEL'DOVICH EFFECT AND WEAK-LENSING MASS SCALING RELATION

    International Nuclear Information System (INIS)

    Marrone, Daniel P.; Carlstrom, John E.; Gralla, Megan; Greer, Christopher H.; Hennessy, Ryan; Leitch, Erik M.; Plagge, Thomas; Smith, Graham P.; Okabe, Nobuhiro; Bonamente, Massimiliano; Hasler, Nicole; Culverhouse, Thomas L.; Hawkins, David; Lamb, James W.; Muchovej, Stephen; Joy, Marshall; Martino, Rossella; Mazzotta, Pasquale; Miller, Amber; Mroczkowski, Tony

    2012-01-01

    We present the first weak-lensing-based scaling relation between galaxy cluster mass, M WL , and integrated Compton parameter Y sph . Observations of 18 galaxy clusters at z ≅ 0.2 were obtained with the Subaru 8.2 m telescope and the Sunyaev-Zel'dovich Array. The M WL -Y sph scaling relations, measured at Δ = 500, 1000, and 2500 ρ c , are consistent in slope and normalization with previous results derived under the assumption of hydrostatic equilibrium (HSE). We find an intrinsic scatter in M WL at fixed Y sph of 20%, larger than both previous measurements of M HSE -Y sph scatter as well as the scatter in true mass at fixed Y sph found in simulations. Moreover, the scatter in our lensing-based scaling relations is morphology dependent, with 30%-40% larger M WL for undisturbed compared to disturbed clusters at the same Y sph at r 500 . Further examination suggests that the segregation may be explained by the inability of our spherical lens models to faithfully describe the three-dimensional structure of the clusters, in particular, the structure along the line of sight. We find that the ellipticity of the brightest cluster galaxy, a proxy for halo orientation, correlates well with the offset in mass from the mean scaling relation, which supports this picture. This provides empirical evidence that line-of-sight projection effects are an important systematic uncertainty in lensing-based scaling relations.

  15. Models and role models.

    Science.gov (United States)

    ten Cate, Jacob M

    2015-01-01

    Developing experimental models to understand dental caries has been the theme in our research group. Our first, the pH-cycling model, was developed to investigate the chemical reactions in enamel or dentine, which lead to dental caries. It aimed to leverage our understanding of the fluoride mode of action and was also utilized for the formulation of oral care products. In addition, we made use of intra-oral (in situ) models to study other features of the oral environment that drive the de/remineralization balance in individual patients. This model addressed basic questions, such as how enamel and dentine are affected by challenges in the oral cavity, as well as practical issues related to fluoride toothpaste efficacy. The observation that perhaps fluoride is not sufficiently potent to reduce dental caries in the present-day society triggered us to expand our knowledge in the bacterial aetiology of dental caries. For this we developed the Amsterdam Active Attachment biofilm model. Different from studies on planktonic ('single') bacteria, this biofilm model captures bacteria in a habitat similar to dental plaque. With data from the combination of these models, it should be possible to study separate processes which together may lead to dental caries. Also products and novel agents could be evaluated that interfere with either of the processes. Having these separate models in place, a suggestion is made to design computer models to encompass the available information. Models but also role models are of the utmost importance in bringing and guiding research and researchers. 2015 S. Karger AG, Basel

  16. Model(ing) Law

    DEFF Research Database (Denmark)

    Carlson, Kerstin

    The International Criminal Tribunal for the former Yugoslavia (ICTY) was the first and most celebrated of a wave of international criminal tribunals (ICTs) built in the 1990s designed to advance liberalism through international criminal law. Model(ing) Justice examines the case law of the ICTY...

  17. Models and role models

    NARCIS (Netherlands)

    ten Cate, J.M.

    2015-01-01

    Developing experimental models to understand dental caries has been the theme in our research group. Our first, the pH-cycling model, was developed to investigate the chemical reactions in enamel or dentine, which lead to dental caries. It aimed to leverage our understanding of the fluoride mode of

  18. Modelling SDL, Modelling Languages

    Directory of Open Access Journals (Sweden)

    Michael Piefel

    2007-02-01

    Full Text Available Today's software systems are too complex to implement them and model them using only one language. As a result, modern software engineering uses different languages for different levels of abstraction and different system aspects. Thus to handle an increasing number of related or integrated languages is the most challenging task in the development of tools. We use object oriented metamodelling to describe languages. Object orientation allows us to derive abstract reusable concept definitions (concept classes from existing languages. This language definition technique concentrates on semantic abstractions rather than syntactical peculiarities. We present a set of common concept classes that describe structure, behaviour, and data aspects of high-level modelling languages. Our models contain syntax modelling using the OMG MOF as well as static semantic constraints written in OMG OCL. We derive metamodels for subsets of SDL and UML from these common concepts, and we show for parts of these languages that they can be modelled and related to each other through the same abstract concepts.

  19. Modelling the models

    CERN Multimedia

    Anaïs Schaeffer

    2012-01-01

    By analysing the production of mesons in the forward region of LHC proton-proton collisions, the LHCf collaboration has provided key information needed to calibrate extremely high-energy cosmic ray models.   Average transverse momentum (pT) as a function of rapidity loss ∆y. Black dots represent LHCf data and the red diamonds represent SPS experiment UA7 results. The predictions of hadronic interaction models are shown by open boxes (sibyll 2.1), open circles (qgsjet II-03) and open triangles (epos 1.99). Among these models, epos 1.99 shows the best overall agreement with the LHCf data. LHCf is dedicated to the measurement of neutral particles emitted at extremely small angles in the very forward region of LHC collisions. Two imaging calorimeters – Arm1 and Arm2 – take data 140 m either side of the ATLAS interaction point. “The physics goal of this type of analysis is to provide data for calibrating the hadron interaction models – the well-known &...

  20. Modeling mechanisms of vegetation change due to fire in a semi-arid ecosystem

    Science.gov (United States)

    White, J.D.; Gutzwiller, K.J.; Barrow, W.C.; Randall, L.J.; Swint, P.

    2008-01-01

    Vegetation growth and community composition in semi-arid environments is determined by water availability and carbon assimilation mechanisms specific to different plant types. Disturbance also impacts vegetation productivity and composition dependent on area affected, intensity, and frequency factors. In this study, a new spatially explicit ecosystem model is presented for the purpose of simulating vegetation cover type changes associated with fire disturbance in the northern Chihuahuan Desert region. The model is called the Landscape and Fire Simulator (LAFS) and represents physiological activity of six functional plant types incorporating site climate, fire, and seed dispersal routines for individual grid cells. We applied this model for Big Bend National Park, Texas, by assessing the impact of wildfire on the trajectory of vegetation communities over time. The model was initialized and calibrated based on landcover maps derived from Landsat-5 Thematic Mapper data acquired in 1986 and 1999 coupled with plant biomass measurements collected in the field during 2000. Initial vegetation cover change analysis from satellite data showed shrub encroachment during this time period that was captured in the simulated results. A synthetic 50-year climate record was derived from historical meteorological data to assess system response based on initial landcover conditions. This simulation showed that shrublands increased to the detriment of grass and yucca-ocotillo vegetation cover types indicating an ecosystem-level trajectory for shrub encroachment. Our analysis of simulated fires also showed that fires significantly reduced site biomass components including leaf area, stem, and seed biomass in this semi-arid ecosystem. In contrast to other landscape simulation models, this new model incorporates detailed physiological responses of functional plant types that will allow us to simulated the impact of increased atmospheric CO2 occurring with climate change coupled with fire

  1. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

    Science.gov (United States)

    Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

    2017-07-01

    While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

  2. The effect of pH on chronic aquatic nickel toxicity is dependent on the pH itself: Extending the chronic nickel bioavailability models.

    Science.gov (United States)

    Nys, Charlotte; Janssen, Colin R; Van Sprang, Patrick; De Schamphelaere, Karel A C

    2016-05-01

    The environmental quality standard for Ni in the European Commission's Water Framework Directive is bioavailability based. Although some of the available chronic Ni bioavailability models are validated only for pH ≤ 8.2, a considerable fraction of European surface waters has a pH > 8.2. Therefore, the authors investigated the effect of a change in pH from 8.2 to 8.7 on chronic Ni toxicity in 3 invertebrate (Daphnia magna, Lymnaea stagnalis, and Brachionus calyciflorus) and 2 plant species (Pseudokirchneriella subcapitata and Lemna minor). Nickel toxicity was almost always significantly higher at pH 8.7 than at pH 8.2. To test whether the existing chronic Ni bioavailability models developed for pH ≤ 8.2 can be used at higher pH levels, Ni toxicity at pH 8.7 was predicted based on Ni toxicity observed at pH 8.2. This resulted in a consistent underestimation of toxicity. The results suggest that the effect of pH on Ni(2+) toxicity is dependent on the pH itself: the slope of the pH effect is steeper above than below pH 8.2 for species for which a species-specific bioavailability model exists. Therefore, the existing chronic Ni bioavailability models were modified to allow predictions of chronic Ni toxicity to invertebrates and plants in the pH range of 8.2 to 8.7 by applying a pH slope (SpH ) dependent on the pH of the target water. These modified Ni bioavailability models resulted in more accurate predictions of Ni toxicity to all 5 species (within 2-fold error), without the bias observed using the bioavailability models developed for pH ≤ 8.2. The results of the present study can decrease the uncertainty in implementing the bioavailability-based environmental quality standard under the Water Framework Directive for high-pH regions in Europe. © 2015 SETAC.

  3. Modeling of Catalytic Hydrodemetallation L'hydrométallation catalytique

    Directory of Open Access Journals (Sweden)

    Wei J.

    2006-11-01

    Full Text Available The removal of organo-metallic compounds of vanadium and nickel by hydrotreating is an important step in the cleaning and upgrading of fuel oil and resids. Unlike the elements of sulfur, nitrogen and oxygen, which are converted to gases in the hydrotreatment, vanadium and nickel are deposited on the catalysts and deactivate them after a period of time on stream. The mechanism of deactivation was theorized to take place by covering active catalyst sites and by blocking diffusion paths. A goal of catalyst design is to make a structure that would absorb as much metal as possible without being blocked. Recent experiments have shown that these metal sulfides do not deposit in continuous and uniform layers, and the prevailing mode is that of discrete large crystallites of up to several hundred Angstroms in diameter. Most of the surface of the aged catalyst appears no to be covered by metal deposits. This mode of deposition has been modeled successfully by a Random Sphere and a Random Needle Model. This implication on design and operation is that it is better to have few large crystallites than to have continuous uniform layers. L'extraction des composés organo-métalliques du vanadium et du nickel par hydrotraitement constitue une étape importante de la purification et de l'amélioration du fuel-oil et des résidus. Contrairement aux éléments soufre, azote et oxygène qui sont transformés en gaz au cours de l'hydrotraitement, le vanadium et le nickel se déposent sur les catalyseurs et au bout d'un certain temps les d��sactivent. Le mécanisme de la désactivation a été expliqué par le fait qu'il se produit une obstruction des sites actifs du catalyseur et un blocage des voies de diffusion. Dans l'étude d'un catalyseur le but recherché est de concevoir une structure qui absorbe autant de métal que possible sans être bloquée. Des expériences récentes ont révélé que ces sulfures métalliques ne se déposent pas en couches uniformes

  4. Computer-aided design and modeling of nickel dithiolene near-infrared dyes. 1998 summer research program for high school juniors at the University of Rochester's Laboratory for Laser Energetics. Student research reports

    International Nuclear Information System (INIS)

    Corsello, S.

    1999-03-01

    Recent advances in computational chemistry have made it feasible to design many types of molecules and predict their properties theoretically. The author applied these techniques to the design of organometallic transition-metal dyes absorbing in the near-infrared region of the spectrum which possess the combination of a large molar extinction coefficient, good chemical and thermal stability, and a high solubility in liquid crystal (LC) hosts. These properties are required for the dye to function as a near-infrared (IR) attenuator in a liquid crystal point diffraction interferometer (LCPDI) device that will be used as a beam diagnostic on the 60-beam OMEGA solid-state Nd:glass laser system at the University of Rochester's Laboratory for Laser Energetics. Using commercially available software, both the absorption spectra and solubility characteristics of bis[1,2-di-(p-n alkoxyphenyl)ethane-1,2-dithione] nickel dye complexes were modeled in an isotropic host (cyclohexane) and, in most cases, excellent agreement was found with experimental data. Two additional compounds utilizing the same nickel dithiolene core but with alkylthio and phenylalkylthio terminal groups have been designed and show excellent potential to produce dramatic improvements in both solubility and optical density (absorbance) in liquid crystalline hosts. Based upon my work, a new dye not previously reported, 2(C 4 S)2(C 4 SPh)DTNi, has been proposed to satisfy the LCPDI device requirements. The nickel dithiolene dyes may also find important applications in other technology areas such as near-IR photography and laser-based near-IR communications

  5. How to Break the Cycle of Low Workforce Diversity: A Model for Change.

    Directory of Open Access Journals (Sweden)

    Katherine R O'Brien

    Full Text Available Social justice concerns but also perceived business advantage are behind a widespread drive to increase workplace diversity. However, dominance in terms of ethnicity, gender or other aspects of diversity has been resistant to change in many sectors. The different factors which contribute to low diversity are often hotly contested and difficult to untangle. We propose that many of the barriers to change arise from self-reinforcing feedbacks between low group diversity and inclusivity. Using a dynamic model, we demonstrate how bias in employee appointment and departure can trap organizations in a state with much lower diversity than the applicant pool: a workforce diversity "poverty trap". Our results also illustrate that if turnover rate is low, employee diversity takes a very long time to change, even in the absence of any bias. The predicted rate of change in workforce composition depends on the rate at which employees enter and leave the organization, and on three measures of inclusion: applicant diversity, appointment bias and departure bias. Quantifying these three inclusion measures is the basis of a new, practical framework to identify barriers and opportunities to increasing workforce diversity. Because we used a systems approach to investigate underlying feedback mechanisms rather than context-specific causes of low workforce diversity, our results are applicable across a wide range of settings.

  6. How to Break the Cycle of Low Workforce Diversity: A Model for Change.

    Science.gov (United States)

    O'Brien, Katherine R; Scheffer, Marten; van Nes, Egbert H; van der Lee, Romy

    2015-01-01

    Social justice concerns but also perceived business advantage are behind a widespread drive to increase workplace diversity. However, dominance in terms of ethnicity, gender or other aspects of diversity has been resistant to change in many sectors. The different factors which contribute to low diversity are often hotly contested and difficult to untangle. We propose that many of the barriers to change arise from self-reinforcing feedbacks between low group diversity and inclusivity. Using a dynamic model, we demonstrate how bias in employee appointment and departure can trap organizations in a state with much lower diversity than the applicant pool: a workforce diversity "poverty trap". Our results also illustrate that if turnover rate is low, employee diversity takes a very long time to change, even in the absence of any bias. The predicted rate of change in workforce composition depends on the rate at which employees enter and leave the organization, and on three measures of inclusion: applicant diversity, appointment bias and departure bias. Quantifying these three inclusion measures is the basis of a new, practical framework to identify barriers and opportunities to increasing workforce diversity. Because we used a systems approach to investigate underlying feedback mechanisms rather than context-specific causes of low workforce diversity, our results are applicable across a wide range of settings.

  7. Kinetic modeling studies of SOA formation from α-pinene ozonolysis

    Science.gov (United States)

    Gatzsche, Kathrin; Iinuma, Yoshiteru; Tilgner, Andreas; Mutzel, Anke; Berndt, Torsten; Wolke, Ralf

    2017-11-01

    This paper describes the implementation of a kinetic gas-particle partitioning approach used for the simulation of secondary organic aerosol (SOA) formation within the SPectral Aerosol Cloud Chemistry Interaction Model (SPACCIM). The kinetic partitioning considers the diffusion of organic compounds into aerosol particles and the subsequent chemical reactions in the particle phase. The basic kinetic partitioning approach is modified by the implementation of chemical backward reaction of the solute within the particle phase as well as a composition-dependent particle-phase bulk diffusion coefficient. The adapted gas-phase chemistry mechanism for α-pinene oxidation has been updated due to the recent findings related to the formation of highly oxidized multifunctional organic compounds (HOMs). Experimental results from a LEAK (Leipziger Aerosolkammer) chamber study for α-pinene ozonolysis were compared with the model results describing this reaction system.The performed model studies reveal that the particle-phase bulk diffusion coefficient and the particle-phase reactivity are key parameters for SOA formation. Using the same particle-phase reactivity for both cases, we find that liquid particles with higher particle-phase bulk diffusion coefficients have 310 times more organic material formed in the particle phase compared to higher viscous semi-solid particles with lower particle-phase bulk diffusion coefficients. The model results demonstrate that, even with a moderate particle-phase reactivity, about 61 % of the modeled organic mass consists of reaction products that are formed in the liquid particles. This finding emphasizes the potential role of SOA processing. Moreover, the initial organic aerosol mass concentration and the particle radius are of minor importance for the process of SOA formation in liquid particles. A sensitivity study shows that a 22-fold increase in particle size merely leads to a SOA increase of less than 10 %.Due to two additional

  8. Modelling Overview

    DEFF Research Database (Denmark)

    Larsen, Lars Bjørn; Vesterager, Johan

    This report provides an overview of the existing models of global manufacturing, describes the required modelling views and associated methods and identifies tools, which can provide support for this modelling activity.The model adopted for global manufacturing is that of an extended enterprise s...

  9. Numerical method for wave forces acting on partially perforated caisson

    Science.gov (United States)

    Jiang, Feng; Tang, Xiao-cheng; Jin, Zhao; Zhang, Li; Chen, Hong-zhou

    2015-04-01

    The perforated caisson is widely applied to practical engineering because of its great advantages in effectively wave energy consumption and cost reduction. The attentions of many scientists were paid to the fluid-structure interaction between wave and perforated caisson studies, but until now, most concerns have been put on theoretical analysis and experimental model set up. In this paper, interaction between the wave and the partial perforated caisson in a 2D numerical wave flume is investigated by means of the renewed SPH algorithm, and the mathematical equations are in the form of SPH numerical approximation based on Navier-Stokes equations. The validity of the SPH mathematical method is examined and the simulated results are compared with the results of theoretical models, meanwhile the complex hydrodynamic characteristics when the water particles flow in or out of a wave absorbing chamber are analyzed and the wave pressure distribution of the perforated caisson is also addressed here. The relationship between the ratio of total horizontal force acting on caisson under regular waves and its influence factors is examined. The data show that the numerical calculation of the ratio of total horizontal force meets the empirical regression equation very well. The simulations of SPH about the wave nonlinearity and breaking are briefly depicted in the paper, suggesting that the advantages and great potentiality of the SPH method is significant compared with traditional methods.

  10. VizieR Online Data Catalog: Local Group dSph radio survey with ATCA (Regis+, 2015)

    Science.gov (United States)

    Regis, M.; Richter, L.; Colafrancesco, S.; Massardi, M.; De Blok, W. J. G.; Profumo, S.; Orford, N.

    2015-09-01

    We present a catalogue of radio sources detected in the fields of six dwarf spheroidal galaxies of the Local Group, which are Carina, Fornax, Sculptor, BootesII, Segue2, and Hercules. Observations were performed during July/August 2011 with the six 22-m diameter Australia Telescope Compact Array antennae operating at 16cm wavelength. We mosaicked a region of radius of about one degree around the first three dwarfs, and of about half of degree around the last three dwarfs. The rms noise level is below 0.05mJy. The restoring beams FWHM ranged from 4.2x2.5-arcseconds to 30.0x2.1-arcseconds in the most elongated case. The catalogue includes different parameters describing 1835 entries which, in our classification, correspond to 1392 sources. See the publication for more details. (1 data file).

  11. Simulating the formation and evolution of galaxies with EvoL, the Padova N-body Tree-SPH code

    International Nuclear Information System (INIS)

    Merlin, E.; Chiosi, C.; Grassi, T.; Buonomo, U.; Chinellato, S.

    2009-01-01

    The importance of numerical simulations in astrophysics is constantly growing, because of the complexity, the multi-scaling properties and the non-linearity of many physical phenomena. In particular, cosmological and galaxy-sized simulations of structure formation have cast light on different aspects, giving answers to many questions, but raising a number of new issues to be investigated. Over the last decade, great effort has been devoted in Padova to develop a tool explicitly designed to study the problem of galaxy formation and evolution, with particular attention to the early-type ones. To this aim, many simulations have been run on CINECA supercomputers (see publications list below). The next step is the new release of EvoL, a Fortran N-body code capable to follow in great detail many different aspects of stellar, interstellar and cosmological physics. In particular, special care has been paid to the properties of stars and their interplay with the surrounding interstellar medium (ISM), as well as to the multiphase nature of the ISM, to the setting of the initial and boundary conditions, and to the correct description of gas physics via modern formulations of the classical Smoothed Particle Hydrodynamics algorithms. Moreover, a powerful tool to compare numerical predictions with observables has been developed, self-consistently closing the whole package. A library of new simulations, run with EvoL on CINECA supercomputers, is to be built in the next years, while new physics, including magnetic properties of matter and more exotic energy feedback effects, is to be added.

  12. Large deformation and post-failure simulations of segmental retaining walls using mesh-free method (SPH)

    OpenAIRE

    Bui, H. H.; Kodikara, J. A.; Pathegama, R.; Bouazza, A.; Haque, A.

    2015-01-01

    Numerical methods are extremely useful in gaining insights into the behaviour of reinforced soil retaining walls. However, traditional numerical approaches such as limit equilibrium or finite element methods are unable to simulate large deformation and post-failure behaviour of soils and retaining wall blocks in the reinforced soil retaining walls system. To overcome this limitation, a novel numerical approach is developed aiming to predict accurately the large deformation and post-failure be...

  13. Médias et publicisation de la sphère privée au Cameroun | Nelem ...

    African Journals Online (AJOL)

    The fluctuation of this borderline is heightened not only by the role that the media play in this day and age in the daily lives of individuals, but also by the close ties that now exist between the political scene and the communication process. Indeed, mediatization should not be viewed merely as the exposure of large swathes ...

  14. Evolution of the mass-metallicity relations in passive and star-forming galaxies from SPH-cosmological simulations

    DEFF Research Database (Denmark)

    Velonà, A. D Romeo; Sommer-Larsen, J.; Napolitano, N. R.

    2013-01-01

    at high redshift, whose scatter increases with time alongside the consolidation of the passive sequence. We also confirm the anti-correlation between sSFR and stellar mass, pointing at a key role of the former in determining the galaxy downsizing, as the most significant means of diagnostics of the star...... formation efficiency. Likewise, an anti-correlation between sSFR and metallicity can be established for the SF galaxies, while on the contrary more active galaxies in terms of simple SFR are also metal-richer. Finally, the [O/Fe] abundance ratio is presented too: we report a strong increasing evolution...

  15. La tuberculose extra-ganglionnaire primitive de la sphère ORL: à propos de 15 cas

    Science.gov (United States)

    Touati, Mohamed Mliha; Darouassi, Youssef; Chihani, Mehdi; Lakouichmi, Mohammed; Tourabi, Khalid; Ammar, Haddou; Bouaity, Brahim

    2014-01-01

    Les localisations ORL extra ganglionnaires de la tuberculose sont rares. La symptomatologie clinique ainsi que les examens paracliniques sont souvent trompeurs,posant ainsi le problème de diagnostic différentiel avec la pathologie tumorale. Nous rapportons 15 cas de localisations extra ganglionnaires de tuberculose, colligés au service ORL et CCF de l'Hopital Militaire Avicenne de Marrakech colligés entre 2009 et 2013. L’âge moyen de nos patients est de 33 ans. L’étude topographique a montré 6 cas au niveau du cavum, un cas de miliaire tuberculeuse pharyngée, 4 cas laryngés; 2 localisations auriculaires; 1 parotidienne et 1 localisation sous maxillaire. Le diagnostic était anatomopathologiquedans tous les cas. Tous nos patients ont reçu un traitement antituberculeux avec une bonne évolution. Mots-clés: Tuberculose, amygdale, rhinopharynx, larynx, glandes salivaires,Oreille moyenne. PMID:25815100

  16. VizieR Online Data Catalog: Cool carbon stars in the halo and Fornax dSph (Mauron+, 2014)

    Science.gov (United States)

    Mauron, N.; Gigoyan, K. S.; Berlioz-Arthaud, P.; Klotz, A.

    2014-03-01

    Spectroscopy of halo candidate C stars was achieved at ESO (La Silla) on 17-18 October 2009 at the NTT telescope equipped with the EFOSC2 instrument in the spectral range 5200-9300Å. We were able to secure the spectra of 25 candidates with exposure times of generally a few minutes, and eventually, eight were found to be C-rich. We also observed three carbon stars in the Carina dwarf galaxy because they were erroneously believed to be in the halo, and for comparison APM 2225-1401, a C star from the list of Totten and Irwin (1998MNRAS.294....1T). We found spectra that covered the Hα region for four halo stars in the Byurakan Astrophysical Observatory archive. They were obtained with the BAO 2.6m telescope and the ByuFOSC2 spectrograph. These spectra were taken on 28 March 1999, 12 June 2002, 11 May 2000, and 11 June 2000 with a resolution ~8Å. Concerning Fornax, spectra of C stars were found in the ESO Archive (program 70.D-0203, P.I. Marc Azzopardi). They were obtained on 5 November 2002 with the ESO 3.6m telescope and the EFOSC instrument with a resolution ~23Å and a spectral coverage from 4000Å to 7950Å. Sixteen C stars were monitored with the ground-based 25cm diameter TAROT telescopes. This monitoring took place irregularly at ESO La Silla and Observatoire de la Cote d'Azur (France) beginning in 2010. Thanks to the recently released Catalina and LINEAR databases, we were able to examine the light curves of 143 halo C stars and found 66 new periodic (Mira or SRa-type) variables among them. (5 data files).

  17. Document Models

    Directory of Open Access Journals (Sweden)

    A.A. Malykh

    2017-08-01

    Full Text Available In this paper, the concept of locally simple models is considered. Locally simple models are arbitrarily complex models built from relatively simple components. A lot of practically important domains of discourse can be described as locally simple models, for example, business models of enterprises and companies. Up to now, research in human reasoning automation has been mainly concentrated around the most intellectually intensive activities, such as automated theorem proving. On the other hand, the retailer business model is formed from ”jobs”, and each ”job” can be modelled and automated more or less easily. At the same time, the whole retailer model as an integrated system is extremely complex. In this paper, we offer a variant of the mathematical definition of a locally simple model. This definition is intended for modelling a wide range of domains. Therefore, we also must take into account the perceptual and psychological issues. Logic is elitist, and if we want to attract to our models as many people as possible, we need to hide this elitism behind some metaphor, to which ’ordinary’ people are accustomed. As such a metaphor, we use the concept of a document, so our locally simple models are called document models. Document models are built in the paradigm of semantic programming. This allows us to achieve another important goal - to make the documentary models executable. Executable models are models that can act as practical information systems in the described domain of discourse. Thus, if our model is executable, then programming becomes redundant. The direct use of a model, instead of its programming coding, brings important advantages, for example, a drastic cost reduction for development and maintenance. Moreover, since the model is well and sound, and not dissolved within programming modules, we can directly apply AI tools, in particular, machine learning. This significantly expands the possibilities for automation and

  18. Model theory

    CERN Document Server

    Chang, CC

    2012-01-01

    Model theory deals with a branch of mathematical logic showing connections between a formal language and its interpretations or models. This is the first and most successful textbook in logical model theory. Extensively updated and corrected in 1990 to accommodate developments in model theoretic methods - including classification theory and nonstandard analysis - the third edition added entirely new sections, exercises, and references. Each chapter introduces an individual method and discusses specific applications. Basic methods of constructing models include constants, elementary chains, Sko

  19. Modeling Methods

    Science.gov (United States)

    Healy, Richard W.; Scanlon, Bridget R.

    2010-01-01

    Simulation models are widely used in all types of hydrologic studies, and many of these models can be used to estimate recharge. Models can provide important insight into the functioning of hydrologic systems by identifying factors that influence recharge. The predictive capability of models can be used to evaluate how changes in climate, water use, land use, and other factors may affect recharge rates. Most hydrological simulation models, including watershed models and groundwater-flow models, are based on some form of water-budget equation, so the material in this chapter is closely linked to that in Chapter 2. Empirical models that are not based on a water-budget equation have also been used for estimating recharge; these models generally take the form of simple estimation equations that define annual recharge as a function of precipitation and possibly other climatic data or watershed characteristics.Model complexity varies greatly. Some models are simple accounting models; others attempt to accurately represent the physics of water movement through each compartment of the hydrologic system. Some models provide estimates of recharge explicitly; for example, a model based on the Richards equation can simulate water movement from the soil surface through the unsaturated zone to the water table. Recharge estimates can be obtained indirectly from other models. For example, recharge is a parameter in groundwater-flow models that solve for hydraulic head (i.e. groundwater level). Recharge estimates can be obtained through a model calibration process in which recharge and other model parameter values are adjusted so that simulated water levels agree with measured water levels. The simulation that provides the closest agreement is called the best fit, and the recharge value used in that simulation is the model-generated estimate of recharge.

  20. Galactic models

    International Nuclear Information System (INIS)

    Buchler, J.R.; Gottesman, S.T.; Hunter, J.H. Jr.

    1990-01-01

    Various papers on galactic models are presented. Individual topics addressed include: observations relating to galactic mass distributions; the structure of the Galaxy; mass distribution in spiral galaxies; rotation curves of spiral galaxies in clusters; grand design, multiple arm, and flocculent spiral galaxies; observations of barred spirals; ringed galaxies; elliptical galaxies; the modal approach to models of galaxies; self-consistent models of spiral galaxies; dynamical models of spiral galaxies; N-body models. Also discussed are: two-component models of galaxies; simulations of cloudy, gaseous galactic disks; numerical experiments on the stability of hot stellar systems; instabilities of slowly rotating galaxies; spiral structure as a recurrent instability; model gas flows in selected barred spiral galaxies; bar shapes and orbital stochasticity; three-dimensional models; polar ring galaxies; dynamical models of polar rings

  1. Self-Consistent Generation of Primordial Continental Crust in Global Mantle Convection Models

    Science.gov (United States)

    Jain, C.; Rozel, A.; Tackley, P. J.

    2017-12-01

    We present the generation of primordial continental crust (TTG rocks) using self-consistent and evolutionary thermochemical mantle convection models (Tackley, PEPI 2008). Numerical modelling commonly shows that mantle convection and continents have strong feedbacks on each other. However in most studies, continents are inserted a priori while basaltic (oceanic) crust is generated self-consistently in some models (Lourenco et al., EPSL 2016). Formation of primordial continental crust happened by fractional melting and crystallisation in episodes of relatively rapid growth from late Archean to late Proterozoic eras (3-1 Ga) (Hawkesworth & Kemp, Nature 2006) and it has also been linked to the onset of plate tectonics around 3 Ga. It takes several stages of differentiation to generate Tonalite-Trondhjemite-Granodiorite (TTG) rocks or proto-continents. First, the basaltic magma is extracted from the pyrolitic mantle which is both erupted at the surface and intruded at the base of the crust. Second, it goes through eclogitic transformation and then partially melts to form TTGs (Rudnick, Nature 1995; Herzberg & Rudnick, Lithos 2012). TTGs account for the majority of the Archean continental crust. Based on the melting conditions proposed by Moyen (Lithos 2011), the feasibility of generating TTG rocks in numerical simulations has already been demonstrated by Rozel et al. (Nature, 2017). Here, we have developed the code further by parameterising TTG formation. We vary the ratio of intrusive (plutonic) and extrusive (volcanic) magmatism (Crisp, Volcanol. Geotherm. 1984) to study the relative volumes of three petrological TTG compositions as reported from field data (Moyen, Lithos 2011). Furthermore, we systematically vary parameters such as friction coefficient, initial core temperature and composition-dependent viscosity to investigate the global tectonic regime of early Earth. Continental crust can also be destroyed by subduction or delamination. We will investigate

  2. Mass Modelling of Dwarf Spheroidal Galaxies: the Effect of Unbound Stars From Tidal Tails And the Milky Way

    Energy Technology Data Exchange (ETDEWEB)

    Klimentowski, Jaroslaw; Lokas, Ewa L.; /Warsaw, Copernicus Astron. Ctr.; Kazantzidis, Stelios; /KIPAC, Menlo Park; Prada, Francisco; /IAA, Granada; Mayer, Lucio; /Zurich,; Mamon, Gary A.; /Paris, Inst. Astrophys. /Meudon Observ.

    2006-11-14

    We study the origin and properties of the population of unbound stars in the kinematic samples of dwarf spheroidal galaxies. For this purpose we have run a high resolution N- body simulation of a two-component dwarf galaxy orbiting in a Milky Way potential. In agreement with the tidal stirring scenario of Mayer et al., the dwarf is placed on a highly eccentric orbit, its initial stellar component is in the form of an exponential disk and it has a NFW-like dark matter halo. After 10 Gyrs of evolution the dwarf produces a spheroidal stellar component and is strongly tidally stripped so that mass follows light and the stars are on almost isotropic orbits. From this final state, we create mock kinematic data sets for 200 stars by observing the dwarf in different directions.We find that when the dwarf is observed along the tidal tails the kinematic samples are strongly contaminated by unbound stars from the tails.We also study another source of possible contamination by adding stars from the Milky Way. We demonstrate that most of the unbound stars can be removed by the method of interloper rejection proposed by den Hartog & Katgert and recently tested on simulated dark matter haloes. We model the cleaned up kinematic samples using solutions of the Jeans equation with constant mass-to-light ratio and velocity anisotropy parameter. We show that even for such strongly stripped dwarf the Jeans analysis, when applied to cleaned samples, allows us to reproduce the mass and mass-to-light ratio of the dwarf with accuracy typically better than 25 percent and almost exactly in the case when the line of sight is perpendicular to the tidal tails. The analysis was applied to the new data for the Fornax dSph galaxy for which we find a mass-to-light ratio of 11 solar units and isotropic orbits. We demonstrate that most of the contamination in the kinematic sample of Fornax probably originates from the Milky Way.

  3. Model-model Perencanaan Strategik

    OpenAIRE

    Amirin, Tatang M

    2005-01-01

    The process of strategic planning, used to be called as long-term planning, consists of several components, including strategic analysis, setting strategic direction (covering of mission, vision, and values), and action planning. Many writers develop models representing the steps of the strategic planning process, i.e. basic planning model, problem-based planning model, scenario model, and organic or self-organizing model.

  4. Event Modeling

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    2001-01-01

    The purpose of this chapter is to discuss conceptual event modeling within a context of information modeling. Traditionally, information modeling has been concerned with the modeling of a universe of discourse in terms of information structures. However, most interesting universes of discourse...... are dynamic and we present a modeling approach that can be used to model such dynamics.We characterize events as both information objects and change agents (Bækgaard 1997). When viewed as information objects events are phenomena that can be observed and described. For example, borrow events in a library can...

  5. Modelling survival

    DEFF Research Database (Denmark)

    Ashauer, Roman; Albert, Carlo; Augustine, Starrlight

    2016-01-01

    The General Unified Threshold model for Survival (GUTS) integrates previously published toxicokinetic-toxicodynamic models and estimates survival with explicitly defined assumptions. Importantly, GUTS accounts for time-variable exposure to the stressor. We performed three studies to test...

  6. Constitutive Models

    DEFF Research Database (Denmark)

    Sales-Cruz, Mauricio; Piccolo, Chiara; Heitzig, Martina

    2011-01-01

    covered, illustrating several models such as the Wilson equation and NRTL equation, along with their solution strategies. A section shows how to use experimental data to regress the property model parameters using a least squares approach. A full model analysis is applied in each example that discusses...... the degrees of freedom, dependent and independent variables and solution strategy. Vapour-liquid and solid-liquid equilibrium is covered, and applications to droplet evaporation and kinetic models are given....

  7. Deconvolving the wedge: maximum-likelihood power spectra via spherical-wave visibility modelling

    Science.gov (United States)

    Ghosh, A.; Mertens, F. G.; Koopmans, L. V. E.

    2018-03-01

    Direct detection of the Epoch of Reionization (EoR) via the red-shifted 21-cm line will have unprecedented implications on the study of structure formation in the infant Universe. To fulfil this promise, current and future 21-cm experiments need to detect this weak EoR signal in the presence of foregrounds that are several orders of magnitude larger. This requires extreme noise control and improved wide-field high dynamic-range imaging techniques. We propose a new imaging method based on a maximum likelihood framework which solves for the interferometric equation directly on the sphere, or equivalently in the uvw-domain. The method uses the one-to-one relation between spherical waves and spherical harmonics (SpH). It consistently handles signals from the entire sky, and does not require a w-term correction. The SpH coefficients represent the sky-brightness distribution and the visibilities in the uvw-domain, and provide a direct estimate of the spatial power spectrum. Using these spectrally smooth SpH coefficients, bright foregrounds can be removed from the signal, including their side-lobe noise, which is one of the limiting factors in high dynamics-range wide-field imaging. Chromatic effects causing the so-called `wedge' are effectively eliminated (i.e. deconvolved) in the cylindrical (k⊥, k∥) power spectrum, compared to a power spectrum computed directly from the images of the foreground visibilities where the wedge is clearly present. We illustrate our method using simulated Low-Frequency Array observations, finding an excellent reconstruction of the input EoR signal with minimal bias.

  8. Interface models

    DEFF Research Database (Denmark)

    Ravn, Anders P.; Staunstrup, Jørgen

    1994-01-01

    This paper proposes a model for specifying interfaces between concurrently executing modules of a computing system. The model does not prescribe a particular type of communication protocol and is aimed at describing interfaces between both software and hardware modules or a combination of the two....... The model describes both functional and timing properties of an interface...

  9. Membrane-type-3 matrix metalloproteinase (MT3-MMP functions as a matrix composition-dependent effector of melanoma cell invasion.

    Directory of Open Access Journals (Sweden)

    Olga Tatti

    Full Text Available In primary human melanoma, the membrane-type matrix metalloproteinase, MT3-MMP, is overexpressed in the most aggressive nodular-type tumors. Unlike MT1-MMP and MT2-MMP, which promote cell invasion through basement membranes and collagen type I-rich tissues, the function of MT3-MMP in tumor progression remains unclear. Here, we demonstrate that MT3-MMP inhibits MT1-MMP-driven melanoma cell invasion in three-dimensional collagen, while yielding an altered, yet MT1-MMP-dependent, form of expansive growth behavior that phenocopies the formation of nodular cell colonies. In melanoma cell lines originating from advanced primary or metastatic lesions, endogenous MT3-MMP expression was associated with limited collagen-invasive potential. In the cell lines with highest MT3-MMP expression relative to MT1-MMP, collagen-invasive activity was increased following stable MT3-MMP gene silencing. Consistently, MT3-MMP overexpression in cells derived from less advanced superficially spreading melanoma lesions, or in the MT3-MMP knockdown cells, reduced MT1-MMP-dependent collagen invasion. Rather than altering MT1-MMP transcription, MT3-MMP interacted with MT1-MMP in membrane complexes and reduced its cell surface expression. By contrast, as a potent fibrinolytic enzyme, MT3-MMP induced efficient invasion of the cells in fibrin, a provisional matrix component frequently found at tumor-host tissue interfaces and perivascular spaces of melanoma. Since MT3-MMP was significantly upregulated in biopsies of human melanoma metastases, these results identify MT3-MMP as a matrix-dependent modifier of the invasive tumor cell functions during melanoma progression.

  10. Strong composition dependence of resistive switching in Ba1-xSrxTiO3 thin films on semiconducting substrates and its thermodynamic analysis

    OpenAIRE

    Mohammad Moradi, Omid; Şen, Canhan; Sen, Canhan; Boni, A. G.; Pintilie, L.; Mısırlıoğlu, Burç; Misirlioglu, Burc

    2018-01-01

    In this work, we report on the variability of the Schottky effect in solution processed Ba1-xSrxTiO3 films (BST, x = 0, 0.5) grown on 0.5% Nb doped SrTiO3 substrates with top Pt electrodes (NSTO/BST/Pt). The films display leakage currents accompanied by varying degrees of hystereses in the current-voltage measurements. The magnitude of the leakage and hystereses depend on the Sr content. We focus on the current-voltage (I-V) behavior of our samples in the light of thermodynamic theory of ferr...

  11. Compositional dependence of absorption coefficient and band-gap for Nb2O5-SiO2 mixture thin films

    International Nuclear Information System (INIS)

    Sancho-Parramon, Jordi; Janicki, Vesna; Zorc, Hrvoje

    2008-01-01

    The absorption coefficient of composite films consisting of niobia (Nb 2 O 5 ) and silica (SiO 2 ) mixtures is studied for photon energies around the band gap. The films were deposited by co-evaporation and their composition was varied by changing the ratio of deposition rates of the two materials. Both, as-deposited and thermally annealed films were characterized by different techniques: the absorption coefficient was determined by spectrophotometric measurements and the structural properties were investigated using infrared spectroscopy, transmission electron microscopy and X-ray diffraction. The correlation between the variations of absorption properties and film composition and structure is established. The absorption coefficients determined experimentally are compared with the results derived from effective medium theories in order to evaluate the suitability of these theories for the studied composites

  12. Effect of compositional dependence on physical and optical parameters of Te{sub 17}Se{sub 83−x}Bi{sub x} glassy system

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Pankaj, E-mail: pks_phy@yahoo.co.in [Department of Physics and Materials Science, Jaypee University of Information Technology, Waknaghat, Solan, HP 173234 (India); El-Bana, M.S.; Fouad, S.S. [Nano-Science and Semiconductor Laboratories, Department of Physics, Faculty of Education, Ain Shams University, Cairo (Egypt); Sharma, Vineet [Department of Physics and Materials Science, Jaypee University of Information Technology, Waknaghat, Solan, HP 173234 (India)

    2016-05-15

    In the present paper we have studied the effect of Bi addition on the physical and optical properties of thermally evaporated Te{sub 17}Se{sub 83−x}Bi{sub x} thin films. With Bi addition the density, mean coordination number, mechanical constraints, glass transition temperature increases. The other parameters theoretical energy gap, lone pair electron, deviation from stoichiometry decreases. Transmission spectra have been taken in the spectral range 400 nm–2500 nm using ultraviolet–visible–near infrared spectrophotometer. The fundamental absorption edge shifts towards longer wavelength with Bi incorporation. Optical energy gap and linear refractive index have been determined using transmission spectra. A good correlation has been drawn between the optical and theoretical parameters. Using linear optical parameters, the nonlinear optical susceptibility and nonlinear refractive index have been estimated. - Highlights: • Physical and optical parameters have been analyzed for Te{sub 17}Se{sub 83−x}Bi{sub x} glassy alloys. • The addition of Bi leads to decrease of average heat of atomization and cohesive energy. • The optical band gap decreases with increasing Bi content. • The third order susceptibility and nonlinear refractive index show an increase with increase in the Bi content.

  13. A TEMPERATURE- AND COMPOSITION-DEPENDENT STUDY, OF H2SO4 AEROSOL OPTICAL CONSTANTS USING FOURIER TRANSFORM AND TUNABLE DIODE LASER INFRARED SPECTROSCOPY. (R826767)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  14. Bacterial radiosensitivity to gamma and ultraviolet. Compositional dependence and repair mechanisms; Radiosensibilidad bacteriana frente a gamma y ultravioleta. Dependencia composicional y mecanismos de reparacion

    Energy Technology Data Exchange (ETDEWEB)

    Saez Angulo, R M; Davila, C A

    1974-07-01

    The gamma and ultraviolet radiosensitivity of several species of bacteria has been determined its dependence on DNAs composition and repair processes has been studied. Base composition are evaluated by chromatography, DNA melting temperature and isopycnic sedimentation on CsCl gradient. Repair capacity of gamma -and UV- lesions has been studied in two bacterial strains with same DMA base composition. It is concluded that the postulated correlation between radiosensitivity and base composition can not be generalized, the enzymatic repair mechanisms being of determining on radiosensitivity. (Author) 248 refs.

  15. Compositional dependence of the band-gap of Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wendav, Torsten, E-mail: wendav@physik.hu-berlin.de [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Fischer, Inga A.; Oehme, Michael; Schulze, Jörg [Institut für Halbleitertechnik, Universität Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart (Germany); Montanari, Michele; Zoellner, Marvin Hartwig; Klesse, Wolfgang [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Capellini, Giovanni [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Dipartimento di Scienze, Università Roma Tre, Viale Marconi 446, 00146 Roma (Italy); Driesch, Nils von den; Buca, Dan [Peter Grünberg Institute 9 (PGI 9) and JARA-Fundamentals of Future Information Technologies, Forschungszentrum Jülich, 52428 Jülich (Germany); Busch, Kurt [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Max-Born-Institut, Max-Born-Str. 2 A, 12489 Berlin (Germany)

    2016-06-13

    The group-IV semiconductor alloy Ge{sub 1−x−y}Si{sub x}Sn{sub y} has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys lattice-matched to Ge with large Si and Sn concentrations of up to 42% and 10%, respectively. The samples were characterized in detail by Rutherford backscattering/channeling spectroscopy for composition and crystal quality, x-ray diffraction for strain determination, and photoluminescence spectroscopy for the assessment of band-gap energies. Moreover, the experimentally extracted material parameters were used to determine the SiSn bowing and to make predictions about the optical transition energy.

  16. Composition-dependent hot carrier relaxation dynamics in cesium lead halide (CsPbX{sub 3}, X=Br and I) perovskite nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Heejae; Jung, Seok Il; Kim, Hyo Jin; Cha, Wonhee; Sim, Eunji; Kim, Dongho [Department of Chemistry, Yonsei University, Seoul (Korea, Republic of); Koh, Weon-Kyu [Device Laboratory, Samsung Advanced Institute of Technology, Suwon (Korea, Republic of); Kim, Jiwon [School of Integrated Technology and Underwood International College, Yonsei University, Incheon (Korea, Republic of)

    2017-04-03

    Cesium-based perovskite nanocrystals (NCs) have outstanding photophysical properties improving the performances of lighting devices. Fundamental studies on excitonic properties and hot-carrier dynamics in perovskite NCs further suggest that these materials show higher efficiencies compared to the bulk form of perovskites. However, the relaxation rates and pathways of hot-carriers are still being elucidated. By using ultrafast transient spectroscopy and calculating electronic band structures, we investigated the dependence of halide in Cs-based perovskite (CsPbX{sub 3} with X=Br, I, or their mixtures) NCs on the hot-carrier relaxation processes. All samples exhibit ultrafast (<0.6 ps) hot-carrier relaxation dynamics with following order: CsPbBr{sub 3} (310 fs)>CsPbBr{sub 1.5}I{sub 1.5} (380 fs)>CsPbI{sub 3} NC (580 fs). These result accounts for a reduced light emission efficiency of CsPbI{sub 3} NC compared to CsPbBr{sub 3} NC. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Host composition dependent tunable multicolor emission in the single-phase Ba2(Ln(1-z)Tb(z))(BO3)2Cl:Eu phosphors.

    Science.gov (United States)

    Xia, Zhiguo; Zhuang, Jiaqing; Meijerink, Andries; Jing, Xiping

    2013-05-14

    A new strategy based on the host composition design has been adopted to obtain efficient color-tunable emission from Ba2Ln(0.97-z)Tb(z)(BO3)2Cl:0.03Eu (Ln = Y, Gd and Lu, z = 0-0.97) phosphors. This study reveals that the single-phase Ba2Ln(1-z)Tb(z)(BO3)2Cl compounds can be applied to use allowed Eu(2+) absorption transitions to sensitize Eu(3+) emission via the energy transfer Eu(2+) → (Tb(3+))n → Eu(3+). The powder X-ray diffraction (XRD) and Rietveld refinement analysis shows single-phase Ba2Ln(1-z)Tb(z)(BO3)2Cl. As-prepared Ba2Ln(0.97-z)Tb(z)(BO3)2Cl:0.03Eu phosphors show intense green, yellow, orange and red emission under 377 nm near ultraviolet (n-UV) excitation due to a variation in the relative intensities of the Eu(2+), Tb(3+) and Eu(3+) emission depending on the Tb content (z) in the host composition, allowing color tuning. The variation in emission color is explained by energy transfer and has been investigated by photoluminescence and lifetime measurements and is further characterized by the Commission Internationale de l'éclairage (CIE) chromaticity indexes. The quantum efficiencies of the phosphors are high, up to 74%, and show good thermal stabilities up to 150 °C. This investigation demonstrates the possibility to sensitize Eu(3+) line emission by Eu(2+)via energy migration over Tb(3+) resulting in efficient color tunable phosphors which are promising for use in solid-state white light-emitting diodes (w-LEDs).

  18. Host composition dependent tunable multicolor emission in the single-phase Ba2(Ln1-zTbz)(BO3)2Cl:Eu phosphors

    NARCIS (Netherlands)

    Xia, Z.; Zhuang, J.; Meijerink, A.; Jing, X.

    2013-01-01

    A new strategy based on the host composition design has been adopted to obtain efficient color-tunable emission from Ba2Ln0.97−zTbz(BO3)2Cl:0.03Eu (Ln = Y, Gd and Lu, z = 0–0.97) phosphors. This study reveals that the single-phase Ba2Ln1−zTbz(BO3)2Cl compounds can be applied to use allowed Eu2+

  19. Composition-dependent magnetic properties of melt-spun La or/and Ce substituted nanocomposite NdFeB alloys

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, M.; Zhao, L.Z.; Zhang, C.; Jiao, D.L.; Zhong, X.C.; Liu, Z.W.

    2016-02-15

    Aiming at high-performance low-cost NdFeB magnets, the magnetic properties and microstructure for melt spun nanocrystalline (Nd{sub 1−x}M{sub x}){sub 10}Fe{sub 84}B{sub 6} (M=La, Ce, or La{sub 0.5}Ce{sub 0.5}; x=0–0.7) alloys were investigated. Relatively, LaCe-substituted alloys show high values of the remanent magnetization M{sub r}, the maximum energy product (BH){sub max} and the coercivity H{sub c}, up to 114 emu/g (1.07 T), 147 kJ/m{sup 3} and 471 kA/m, respectively, at x=0.1. The unusual increase in coercivity for the alloys with 10% La or 10% La{sub 0.5}Ce{sub 0.5} substitution is possibly attributed to the phase segregation in alloys with certain La or LaCe contents. The reduced Curie temperature and spin-reorientation temperature were obtained for La, Ce or LaCe substituted alloys. Transmission electron microscope analysis has revealed that a fine and uniform distributed grain structure leads to remanence enhancement for La{sub 0.5}Ce{sub 0.5} substituted alloys. The present results indicate that partially substituting Nd by La or/and Ce cannot only effectively reduce the cost of nanocrystalline NdFeB based magnetic powders but also can maintain a relatively good combination of magnetic properties.

  20. Composition dependences of crystal structure and electrical properties of epitaxial Pb(Zr,Ti)O3 films grown on Si and SrTiO3 substrates

    Science.gov (United States)

    Okamoto, Shoji; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi

    2016-10-01

    {100}-oriented Pb(Zr x ,Ti1- x )O3 (PZT) thin films of approximately 2 µm thickness and Zr/(Zr + Ti) ratios of 0.39-0.65 were epitaxially grown on (100)cSrRuO3//(100)SrTiO3 (STO) and (100)cSrRuO3//(100)cLaNiO3//(100)CeO2//(100)YSZ//(100)Si (Si) substrates having different thermal expansion coefficients by pulsed metal-organic chemical vapor deposition (MOCVD). The effects of Zr/(Zr + Ti) ratio and type of substrate on the crystal structure and dielectric, ferroelectric and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that both films changed from having a tetragonal symmetry to rhombohedral symmetry through the coexisting region with increasing Zr/(Zr + Ti) ratio. This region showed the Zr/(Zr + Ti) ratios of 0.45-0.59 for the films on the STO substrates that were wider than the films on the Si substrates. Saturation polarization values were minimum at approximately Zr/(Zr + Ti) = 0.50 for the films on the STO substrates, and no obvious Zr/(Zr + Ti) ratio dependence was detected in the films on the Si substrates. On the other hand, the maximum field-induced strain values measured by scanning force microscopy at approximately Zr/(Zr + Ti) = 0.50 at 100 kV/cm were about 0.5 and 0.1% in the films on the Si and STO, respectively.

  1. Composition dependence of the ferroelectric properties of lanthanum-modified bismuth titanate thin films grown by using pulsed-laser deposition

    CERN Document Server

    Bu, S D; Park, B H; Noh, T W

    2000-01-01

    Lanthanum-modified bismuth titanate, Bi sub 4 sub - sub x La sub x Ti sub 3 O sub 1 sub 2 (BLT), thin films with a La concentration of 0.25<=x<=1.00 were grown on Pt/Ti/SiO sub 2 /Si substrates by using pulsed-laser deposition. The BLT films showed well-saturated polarization-electric field curves whose remnant polarizations were 16.1 mu C/cm sup 2 , 27.8 mu C/cm sup 2 , 19.6 mu C/cm sup 2 , and 2.7 mu C/cm sup 2 , respectively, for x=0.25, 0.05, 0.75, and 1.00. The fatigue characteristics became better with increasing x up to 0.75. The Au/BLT/Pt capacitor with a La concentration of 0.50 showed an interesting dependence of the remanent polarization on the number of repetitive read/write cycles. On the other hand, the capacitor with a La concentration of 0.75 showed fatigue-free characteristics.

  2. Compositional Dependence of Optical and Structural Properties of Nanogranular Mixed ZrO2/ZnO/SnO2 Thin Film

    Science.gov (United States)

    Salari, S.; Ghodsi, F. E.

    2018-06-01

    A study on the optical properties and photoluminescence (PL) spectra of ternary oxide nanogranular thin films comprising Zr, Zn, and Sn revealed that the change in component ratio could direct the roadmap to improve characteristics of the films. Grazing angle X-ray diffraction analysis showed that incorporation of Sn atoms into the tetragonal structure of Zn/Zr thin film resulted in an amorphous structure. The band gap of film was tunable by precisely controlling the concentration of components. The widening of band gap could correlate to the quantum confinement effect. PL spectra of the composite thin films under excitation at 365 nm showed a sharp red emission with relatively Gaussian line shape, which was intensified in the optimum percentage ratio of 50/30/20. This nearly red emission is attributed to the radiative emission of electrons captured at low-energy traps located near the valence band. An optimum red emission is strongly desirable for use in white LEDs. The comparative study on FTIR spectra of unary, binary, and ternary thin films confirmed successful composition of three different metal oxides in ternary thin films. Detailed investigation on FTIR spectra of ternary compounds revealed that the quenching in PL emission at higher percentage of Sn was originally due to the hydroxyl group.

  3. Composition-dependent emission linewidth broadening in lead bromide perovskite (APbBr3, A = Cs and CH3NH3) nanoparticles.

    Science.gov (United States)

    Ham, Sujin; Chung, Heejae; Kim, Tae-Woo; Kim, Jiwon; Kim, Dongho

    2018-02-01

    Lead halide perovskite nanoparticles (NPs) are attractive as they exhibit excellent color purity and have a tunable band gap, and can thus be applied in highly efficient photovoltaic and light-emitting diodes. Fundamental studies of emission linewidth broadening due to spectral shifts in perovskite NPs may suggest a way to improve their color purity. However, the carrier-induced Stark shift that causes spectral diffusion still requires investigation. In this study, we explore composition-related emission linewidth broadening by comparing CsPbBr3 and CH 3 NH 3 PbBr 3 (MAPbBr3) perovskite NPs. We find that the MAPbBr3 NPs are more sensitive to fluctuations in the local electric fields than the CsPbBr3 NPs due to an intrinsic difference in the dipole moment between the two A cations (Cs and MA), which shows a carrier-induced Stark shift. The results indicate that the compositions of perovskite NPs are closely associated with emission linewidth broadening and they also provide insights into the development of NP-based devices with high color purity.

  4. Adjustable rheology of fumed silica dispersion in urethane prepolymers: Composition-dependent sol and gel behaviors and energy-mediated shear responses

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Zhong, E-mail: 11329038@zju.edu.cn; Song, Yihu, E-mail: s-yh0411@zju.edu.cn; Wang, Xiang, E-mail: 11229036@zju.edu.cn; Zheng, Qiang, E-mail: zhengqiang@zju.edu.cn [MOE Key Laboratory of Macromolecule Synthesis and Functionalization, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2015-07-15

    Variation of colloidal and interfacial interactions leads to a microstructural diversity in fumed silica dispersions exhibiting absolutely different sol- or gel-like rheological responses. In this study, fumed silicas with different surface areas (200–400 m{sup 2}/g) and surface characteristics (hydrophilic or hydrophobic) are dispersed into moisture-cured polyurethane. The microstructures investigated using transmission electron microscope are associated perfectly with three different rheological behaviors: (i) Sols with well-dispersed silica aggregates, (ii) weak gels with agglomerate-linked networks, and (iii) strong gels with concentrated networks of large agglomerates. Though sols and gels are well distinguished by shear thickening or sustained thinning response through steady shear flow test, it is interesting that the sols and weak gels exhibit a uniform modulus plateau-softening-hardening-softening response with increasing dynamic strain at frequency 10 rad s{sup −1} while the strong gels show a sustained softening beyond the linear regime. Furthermore, the onset of softening and hardening can be normalized: The two softening are isoenergetic at mechanical energies of 0.3 J m{sup −3} and 10 kJ m{sup −3}. On the other hand, the hardening is initiated by a critical strain of 60%. The mechanisms involved in the generation of the sol- and the gel-like dispersions and their structural evolutions during shear are thoroughly clarified in relation to the polyols, the characteristic and content of silica and the curing catalysts.

  5. A Symmetry Particle Method towards Implicit Non‐Newtonian Fluids

    Directory of Open Access Journals (Sweden)

    Yalan Zhang

    2017-02-01

    Full Text Available In this paper, a symmetry particle method, the smoothed particle hydrodynamics (SPH method, is extended to deal with non‐Newtonian fluids. First, the viscous liquid is modeled by a non‐Newtonian fluid flow and the variable viscosity under shear stress is determined by the Carreau‐Yasuda model. Then a pressure correction method is proposed, by correcting density error with individual stiffness parameters for each particle, to ensure the incompressibility of fluid. Finally, an implicit method is used to improve efficiency and stability. It is found that the nonNewtonian behavior can be well displayed in all cases, and the proposed SPH algorithm is stable and efficient.

  6. Hydrological models are mediating models

    Science.gov (United States)

    Babel, L. V.; Karssenberg, D.

    2013-08-01

    Despite the increasing role of models in hydrological research and decision-making processes, only few accounts of the nature and function of models exist in hydrology. Earlier considerations have traditionally been conducted while making a clear distinction between physically-based and conceptual models. A new philosophical account, primarily based on the fields of physics and economics, transcends classes of models and scientific disciplines by considering models as "mediators" between theory and observations. The core of this approach lies in identifying models as (1) being only partially dependent on theory and observations, (2) integrating non-deductive elements in their construction, and (3) carrying the role of instruments of scientific enquiry about both theory and the world. The applicability of this approach to hydrology is evaluated in the present article. Three widely used hydrological models, each showing a different degree of apparent physicality, are confronted to the main characteristics of the "mediating models" concept. We argue that irrespective of their kind, hydrological models depend on both theory and observations, rather than merely on one of these two domains. Their construction is additionally involving a large number of miscellaneous, external ingredients, such as past experiences, model objectives, knowledge and preferences of the modeller, as well as hardware and software resources. We show that hydrological models convey the role of instruments in scientific practice by mediating between theory and the world. It results from these considerations that the traditional distinction between physically-based and conceptual models is necessarily too simplistic and refers at best to the stage at which theory and observations are steering model construction. The large variety of ingredients involved in model construction would deserve closer attention, for being rarely explicitly presented in peer-reviewed literature. We believe that devoting

  7. ICRF modelling

    International Nuclear Information System (INIS)

    Phillips, C.K.

    1985-12-01

    This lecture provides a survey of the methods used to model fast magnetosonic wave coupling, propagation, and absorption in tokamaks. The validity and limitations of three distinct types of modelling codes, which will be contrasted, include discrete models which utilize ray tracing techniques, approximate continuous field models based on a parabolic approximation of the wave equation, and full field models derived using finite difference techniques. Inclusion of mode conversion effects in these models and modification of the minority distribution function will also be discussed. The lecture will conclude with a presentation of time-dependent global transport simulations of ICRF-heated tokamak discharges obtained in conjunction with the ICRF modelling codes. 52 refs., 15 figs

  8. Modelling in Business Model design

    NARCIS (Netherlands)

    Simonse, W.L.

    2013-01-01

    It appears that business model design might not always produce a design or model as the expected result. However when designers are involved, a visual model or artefact is produced. To assist strategic managers in thinking about how they can act, the designers challenge is to combine strategy and

  9. Eclipse models

    International Nuclear Information System (INIS)

    Michel, F.C.

    1989-01-01

    Three existing eclipse models for the PSR 1957 + 20 pulsar are discussed in terms of their requirements and the information they yield about the pulsar wind: the interacting wind from a companion model, the magnetosphere model, and the occulting disk model. It is shown out that the wind model requires an MHD wind from the pulsar, with enough particles that the Poynting flux of the wind can be thermalized; in this model, a large flux of energetic radiation from the pulsar is required to accompany the wind and drive the wind off the companion. The magnetosphere model requires an EM wind, which is Poynting flux dominated; the advantage of this model over the wind model is that the plasma density inside the magnetosphere can be orders of magnitude larger than in a magnetospheric tail blown back by wind interaction. The occulting disk model also requires an EM wind so that the interaction would be pushed down onto the companion surface, minimizing direct interaction of the wind with the orbiting macroscopic particles

  10. Ventilation Model

    International Nuclear Information System (INIS)

    Yang, H.

    1999-01-01

    The purpose of this analysis and model report (AMR) for the Ventilation Model is to analyze the effects of pre-closure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts and provide heat removal data to support EBS design. It will also provide input data (initial conditions, and time varying boundary conditions) for the EBS post-closure performance assessment and the EBS Water Distribution and Removal Process Model. The objective of the analysis is to develop, describe, and apply calculation methods and models that can be used to predict thermal conditions within emplacement drifts under forced ventilation during the pre-closure period. The scope of this analysis includes: (1) Provide a general description of effects and heat transfer process of emplacement drift ventilation. (2) Develop a modeling approach to simulate the impacts of pre-closure ventilation on the thermal conditions in emplacement drifts. (3) Identify and document inputs to be used for modeling emplacement ventilation. (4) Perform calculations of temperatures and heat removal in the emplacement drift. (5) Address general considerations of the effect of water/moisture removal by ventilation on the repository thermal conditions. The numerical modeling in this document will be limited to heat-only modeling and calculations. Only a preliminary assessment of the heat/moisture ventilation effects and modeling method will be performed in this revision. Modeling of moisture effects on heat removal and emplacement drift temperature may be performed in the future

  11. Mathematical modelling

    DEFF Research Database (Denmark)

    Blomhøj, Morten

    2004-01-01

    Developing competences for setting up, analysing and criticising mathematical models are normally seen as relevant only from and above upper secondary level. The general belief among teachers is that modelling activities presuppose conceptual understanding of the mathematics involved. Mathematical...... roots for the construction of important mathematical concepts. In addition competences for setting up, analysing and criticising modelling processes and the possible use of models is a formative aim in this own right for mathematics teaching in general education. The paper presents a theoretical...... modelling, however, can be seen as a practice of teaching that place the relation between real life and mathematics into the centre of teaching and learning mathematics, and this is relevant at all levels. Modelling activities may motivate the learning process and help the learner to establish cognitive...

  12. Mathematical modelling

    CERN Document Server

    2016-01-01

    This book provides a thorough introduction to the challenge of applying mathematics in real-world scenarios. Modelling tasks rarely involve well-defined categories, and they often require multidisciplinary input from mathematics, physics, computer sciences, or engineering. In keeping with this spirit of modelling, the book includes a wealth of cross-references between the chapters and frequently points to the real-world context. The book combines classical approaches to modelling with novel areas such as soft computing methods, inverse problems, and model uncertainty. Attention is also paid to the interaction between models, data and the use of mathematical software. The reader will find a broad selection of theoretical tools for practicing industrial mathematics, including the analysis of continuum models, probabilistic and discrete phenomena, and asymptotic and sensitivity analysis.

  13. Generalized Bragg-Williams model for the size-dependent order-disorder transition of bimetallic nanoparticles

    International Nuclear Information System (INIS)

    Li, Y J; Qi, W H; Wang, M P; Liu, J F; Xiong, S Y; Huang, B Y

    2011-01-01

    Considering the different effects of exterior atoms (face, edge and corner atoms), the Bragg-Williams model is generalized to account for the size, shape and composition-dependent order-disorder transition of bimetallic nanoparticles (NPs) with B 2 , L1 0 and L1 2 ordered structures. The results show that the order-disorder temperatures T C,p are different for different shapes even in the identical particle size. The order of order-disorder temperatures of different shapes varies for different sizes. The long-range order parameter decreases with the increase in temperature in all size ranges and decreases smoothly in large sizes, but drops dramatically in small sizes. Moreover, it is also found that the order-disorder temperature of bimetallic NPs rises with increasing particle sizes and decreases with a deviation from the ideal compositions. The present predictions are consistent with the available literature results, indicating its capability in predicting other order-disorder transition phenomena of bimetallic NPs.

  14. Identification, Classification, Mapping of Model and Secondary Steppe Ecosystems Within the Orenburg-Kazakhstan Cross-Border Region

    Directory of Open Access Journals (Sweden)

    Yakovlev Ilya Gennadyevich

    2014-09-01

    Full Text Available The article deals with the current issues of modern steppe management in the Orenburg-Kazakhstan cross-border region. The authors use the data of their own field research over the period of 2009-2014 aimed at detection and classification of model and secondary steppe ecosystems in the region. For the last 6 years it has been revealed that some steppe and fallow lands have different squares. The detected lands are multiple-aged and differ according to their qualitative composition depending on aged-specific (time for completion of agricultural activity, soil-lithogenous and floristic features.The authors detected sites of anthropogenic influence on steppe ecosystems as well as the factors that have favorable affect on restoration of natural ecosystems. The article also reveals the centers of restoration of traditional steppe fauna within the Orenburg-Kazakhstan region and the distribution area of marmot, little bustard, bustard, saiga antelope. The authors carried out the comparative analysis of agro-ecological situation in the region for a few last years as well as over long period of time according to archival and polling data.

  15. Multi-scale modelling of Suzuki segregation in γ′ precipitates in Ni and Co-base superalloys

    Directory of Open Access Journals (Sweden)

    Srimannarayana P.

    2014-01-01

    Full Text Available The high temperature strength of alloys with (γ + γ′ microstructure is primarily due to the resistance of the ordered precipitate to cutting by matrix dislocations. Such shearing requires higher stresses since it involves the creation of a planar fault. Planar fault energy is known to be dependent on composition. This implies that the composition on the fault may be different from that in the bulk for energetic reasons. Such segregation (or desegregation of specific alloying elements to the fault may result in Suzuki strengthening which has not been explored extensively in these systems. In this work, segregation (or desegregation of alloying elements to planar faults was studied computationally in Ni3(Al,Ti and Co3(W,Al type γ′ precipitates. The composition dependence of APB energy and heat of mixing were evaluated from first principle electronic structure calculations. A phase field model incorporating the first principles results, was used to simulate the motion of an extended superdislocation under stress concurrently with composition evolution. Results reveal that in both systems, significant (desegregation occurs on equilibration. On application of stress, solutes were dragged along with the APB in some cases. Additionally, it was also noted the velocity of the superdislocation under an applied stress is strongly dependent on atomic mobility (i.e. diffusivity.

  16. Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

    Science.gov (United States)

    Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

    2016-11-01

    We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

  17. Model : making

    OpenAIRE

    Bottle, Neil

    2013-01-01

    The Model : making exhibition was curated by Brian Kennedy in collaboration with Allies & Morrison in September 2013. For the London Design Festival, the Model : making exhibition looked at the increased use of new technologies by both craft-makers and architectural model makers. In both practices traditional ways of making by hand are increasingly being combined with the latest technologies of digital imaging, laser cutting, CNC machining and 3D printing. This exhibition focussed on ...

  18. Large-eddy simulations of 3D Taylor-Green vortex: comparison of Smoothed Particle Hydrodynamics, Lattice Boltzmann and Finite Volume methods

    International Nuclear Information System (INIS)

    Kajzer, A; Pozorski, J; Szewc, K

    2014-01-01

    In the paper we present Large-eddy simulation (LES) results of 3D Taylor- Green vortex obtained by the three different computational approaches: Smoothed Particle Hydrodynamics (SPH), Lattice Boltzmann Method (LBM) and Finite Volume Method (FVM). The Smagorinsky model was chosen as a subgrid-scale closure in LES for all considered methods and a selection of spatial resolutions have been investigated. The SPH and LBM computations have been carried out with the use of the in-house codes executed on GPU and compared, for validation purposes, with the FVM results obtained using the open-source CFD software OpenFOAM. A comparative study in terms of one-point statistics and turbulent energy spectra shows a good agreement of LES results for all methods. An analysis of the GPU code efficiency and implementation difficulties has been made. It is shown that both SPH and LBM may offer a significant advantage over mesh-based CFD methods.

  19. Model building

    International Nuclear Information System (INIS)

    Frampton, Paul H.

    1998-01-01

    In this talk I begin with some general discussion of model building in particle theory, emphasizing the need for motivation and testability. Three illustrative examples are then described. The first is the Left-Right model which provides an explanation for the chirality of quarks and leptons. The second is the 331-model which offers a first step to understanding the three generations of quarks and leptons. Third and last is the SU(15) model which can accommodate the light leptoquarks possibly seen at HERA

  20. Model building

    International Nuclear Information System (INIS)

    Frampton, P.H.

    1998-01-01

    In this talk I begin with some general discussion of model building in particle theory, emphasizing the need for motivation and testability. Three illustrative examples are then described. The first is the Left-Right model which provides an explanation for the chirality of quarks and leptons. The second is the 331-model which offers a first step to understanding the three generations of quarks and leptons. Third and last is the SU(15) model which can accommodate the light leptoquarks possibly seen at HERA. copyright 1998 American Institute of Physics

  1. Modeling Documents with Event Model

    Directory of Open Access Journals (Sweden)

    Longhui Wang

    2015-08-01

    Full Text Available Currently deep learning has made great breakthroughs in visual and speech processing, mainly because it draws lessons from the hierarchical mode that brain deals with images and speech. In the field of NLP, a topic model is one of the important ways for modeling documents. Topic models are built on a generative model that clearly does not match the way humans write. In this paper, we propose Event Model, which is unsupervised and based on the language processing mechanism of neurolinguistics, to model documents. In Event Model, documents are descriptions of concrete or abstract events seen, heard, or sensed by people and words are objects in the events. Event Model has two stages: word learning and dimensionality reduction. Word learning is to learn semantics of words based on deep learning. Dimensionality reduction is the process that representing a document as a low dimensional vector by a linear mode that is completely different from topic models. Event Model achieves state-of-the-art results on document retrieval tasks.

  2. Animal models

    DEFF Research Database (Denmark)

    Gøtze, Jens Peter; Krentz, Andrew

    2014-01-01

    In this issue of Cardiovascular Endocrinology, we are proud to present a broad and dedicated spectrum of reviews on animal models in cardiovascular disease. The reviews cover most aspects of animal models in science from basic differences and similarities between small animals and the human...

  3. Battery Modeling

    NARCIS (Netherlands)

    Jongerden, M.R.; Haverkort, Boudewijn R.H.M.

    2008-01-01

    The use of mobile devices is often limited by the capacity of the employed batteries. The battery lifetime determines how long one can use a device. Battery modeling can help to predict, and possibly extend this lifetime. Many different battery models have been developed over the years. However,

  4. Didactical modelling

    DEFF Research Database (Denmark)

    Højgaard, Tomas; Hansen, Rune

    The purpose of this paper is to introduce Didactical Modelling as a research methodology in mathematics education. We compare the methodology with other approaches and argue that Didactical Modelling has its own specificity. We discuss the methodological “why” and explain why we find it useful...

  5. Design modelling

    NARCIS (Netherlands)

    Kempen, van A.; Kok, H.; Wagter, H.

    1992-01-01

    In Computer Aided Drafting three groups of three-dimensional geometric modelling can be recognized: wire frame, surface and solid modelling. One of the methods to describe a solid is by using a boundary based representation. The topology of the surface of a solid is the adjacency information between

  6. Education models

    NARCIS (Netherlands)

    Poortman, Sybilla; Sloep, Peter

    2006-01-01

    Educational models describes a case study on a complex learning object. Possibilities are investigated for using this learning object, which is based on a particular educational model, outside of its original context. Furthermore, this study provides advice that might lead to an increase in

  7. VENTILATION MODEL

    International Nuclear Information System (INIS)

    V. Chipman

    2002-01-01

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their postclosure analyses

  8. Modelling Constructs

    DEFF Research Database (Denmark)

    Kindler, Ekkart

    2009-01-01

    , these notations have been extended in order to increase expressiveness and to be more competitive. This resulted in an increasing number of notations and formalisms for modelling business processes and in an increase of the different modelling constructs provided by modelling notations, which makes it difficult......There are many different notations and formalisms for modelling business processes and workflows. These notations and formalisms have been introduced with different purposes and objectives. Later, influenced by other notations, comparisons with other tools, or by standardization efforts...... to compare modelling notations and to make transformations between them. One of the reasons is that, in each notation, the new concepts are introduced in a different way by extending the already existing constructs. In this chapter, we go the opposite direction: We show that it is possible to add most...

  9. Spectroscopic ellipsometry analysis of InGaN/GaN and AlGaN/GaN heterostructures using a parametric dielectric function model

    International Nuclear Information System (INIS)

    Wagner, J.; Ramakrishnan, A.; Obloh, H.; Kunzer, M.; Koehler, K.; Johs, B.

    2000-01-01

    Spectroscopic ellipsometry (SE) has been used for the characterization of AlGaN/GaN and InGaN/GaN heterostructures. The resulting pseudodielectric function spectra were analyzed using a multilayer approach, describing the dielectric functions of the individual layers by a parametric oscillator model. From this analysis, the dielectric function spectra of GaN, Al x Ga 1-x N (x le 0.16), and In 0.13 Ga 0.87 N were deduced. Further, the dependence of the Al x Ga 1-x N band gap energy on the Al mole fraction was derived and compared with photoluminescence data recorded on the same material. The SE band gap data are compatible with a bowing parameter close to 1 eV for the composition dependence of the Al x Ga 1-x N gap energy. Finally, the parametric dielectric functions have been used to model the pseudodielectric function spectrum of a complete GaN/AlGaN/InGaN LED structure

  10. STEREOMETRIC MODELLING

    Directory of Open Access Journals (Sweden)

    P. Grimaldi

    2012-07-01

    Full Text Available These mandatory guidelines are provided for preparation of papers accepted for publication in the series of Volumes of The The stereometric modelling means modelling achieved with : – the use of a pair of virtual cameras, with parallel axes and positioned at a mutual distance average of 1/10 of the distance camera-object (in practice the realization and use of a stereometric camera in the modeling program; – the shot visualization in two distinct windows – the stereoscopic viewing of the shot while modelling. Since the definition of "3D vision" is inaccurately referred to as the simple perspective of an object, it is required to add the word stereo so that "3D stereo vision " shall stand for "three-dimensional view" and ,therefore, measure the width, height and depth of the surveyed image. Thanks to the development of a stereo metric model , either real or virtual, through the "materialization", either real or virtual, of the optical-stereo metric model made visible with a stereoscope. It is feasible a continuous on line updating of the cultural heritage with the help of photogrammetry and stereometric modelling. The catalogue of the Architectonic Photogrammetry Laboratory of Politecnico di Bari is available on line at: http://rappresentazione.stereofot.it:591/StereoFot/FMPro?-db=StereoFot.fp5&-lay=Scheda&-format=cerca.htm&-view

  11. Modeling complexes of modeled proteins.

    Science.gov (United States)

    Anishchenko, Ivan; Kundrotas, Petras J; Vakser, Ilya A

    2017-03-01

    Structural characterization of proteins is essential for understanding life processes at the molecular level. However, only a fraction of known proteins have experimentally determined structures. This fraction is even smaller for protein-protein complexes. Thus, structural modeling of protein-protein interactions (docking) primarily has to rely on modeled structures of the individual proteins, which typically are less accurate than the experimentally determined ones. Such "double" modeling is the Grand Challenge of structural reconstruction of the interactome. Yet it remains so far largely untested in a systematic way. We present a comprehensive validation of template-based and free docking on a set of 165 complexes, where each protein model has six levels of structural accuracy, from 1 to 6 Å C α RMSD. Many template-based docking predictions fall into acceptable quality category, according to the CAPRI criteria, even for highly inaccurate proteins (5-6 Å RMSD), although the number of such models (and, consequently, the docking success rate) drops significantly for models with RMSD > 4 Å. The results show that the existing docking methodologies can be successfully applied to protein models with a broad range of structural accuracy, and the template-based docking is much less sensitive to inaccuracies of protein models than the free docking. Proteins 2017; 85:470-478. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  12. Composition effects on chemical durability and viscosity of nuclear waste glasses - systematic studies and structural thermodynamic models

    International Nuclear Information System (INIS)

    Feng, X.

    1988-01-01

    Two of the primary criteria for the acceptability of nuclear waste glasses are their durability, i.e. chemical resistance to aqueous attack for 10 4 to 10 5 years, and processability, which requires their viscosity at the desired melt temperature to be sufficiently low. Chapter 3 presents the results of systematic composition variation studies around the preliminary reference glass composition WV205 and an atomistic interpretation of the effects of individual oxides. Chapter 4 is concerned with modifications of the Jantzen-Plodinec hydration model which takes into account formation of complex aluminosilicate compounds in the glass. Chapter 5 is devoted to the development and validation of the structural-thermodynamic model for both durability and viscosity. This model assumes the strength of bonds between atoms to be the controlling factor in the composition dependence of these glass properties. The binding strengths are derived from the known heats of formation and the structural roles of constituent oxides. Since the coordination state of various oxides in the glass is temperature dependent and cation size has opposite effects on the two properties, the correlation between melt viscosity and rate of corrosion at low temperature is not simply linear. Chapter 6 surveys the effects of aqueous phase composition on the leach behavior of glasses. These studies provide a comprehensive view of the effects of both glass composition and leachant composition on leaching. The models developed correlate both durability and viscosity with glass composition. A major implication is that these findings can be used in the systematic optimization of the properties of complex oxide glasses

  13. A diffusion-limited reaction model for self-propagating Al/Pt multilayers with quench limits

    Science.gov (United States)

    Kittell, D. E.; Yarrington, C. D.; Hobbs, M. L.; Abere, M. J.; Adams, D. P.

    2018-04-01

    A diffusion-limited reaction model was calibrated for Al/Pt multilayers ignited on oxidized silicon, sapphire, and tungsten substrates, as well as for some Al/Pt multilayers ignited as free-standing foils. The model was implemented in a finite element analysis code and used to match experimental burn front velocity data collected from several years of testing at Sandia National Laboratories. Moreover, both the simulations and experiments reveal well-defined quench limits in the total Al + Pt layer (i.e., bilayer) thickness. At these limits, the heat generated from atomic diffusion is insufficient to support a self-propagating wave front on top of the substrates. Quench limits for reactive multilayers are seldom reported and are found to depend on the thermal properties of the individual layers. Here, the diffusion-limited reaction model is generalized to allow for temperature- and composition-dependent material properties, phase change, and anisotropic thermal conductivity. Utilizing this increase in model fidelity, excellent overall agreement is shown between the simulations and experimental results with a single calibrated parameter set. However, the burn front velocities of Al/Pt multilayers ignited on tungsten substrates are over-predicted. Possible sources of error are discussed and a higher activation energy (from 41.9 kJ/mol.at. to 47.5 kJ/mol.at.) is shown to bring the simulations into agreement with the velocity data observed on tungsten substrates. This higher activation energy suggests an inhibited diffusion mechanism present at lower heating rates.

  14. Graphical Rasch models

    DEFF Research Database (Denmark)

    Kreiner, Svend; Christensen, Karl Bang

    Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models......Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models...

  15. Supernova models

    International Nuclear Information System (INIS)

    Woosley, S.E.; California, University, Livermore, CA); Weaver, T.A.

    1981-01-01

    Recent progress in understanding the observed properties of type I supernovae as a consequence of the thermonuclear detonation of white dwarf stars and the ensuing decay of the Ni-56 produced therein is reviewed. The expected nucleosynthesis and gamma-line spectra for this model of type I explosions and a model for type II explosions are presented. Finally, a qualitatively new approach to the problem of massive star death and type II supernovae based upon a combination of rotation and thermonuclear burning is discussed. While the theoretical results of existing models are predicated upon the assumption of a successful core bounce calculation and the neglect of such two-dimensional effects as rotation and magnetic fields the new model suggests an entirely different scenario in which a considerable portion of the energy carried by an equatorially ejected blob is deposited in the red giant envelope overlying the mantle of the star

  16. Model theory

    CERN Document Server

    Hodges, Wilfrid

    1993-01-01

    An up-to-date and integrated introduction to model theory, designed to be used for graduate courses (for students who are familiar with first-order logic), and as a reference for more experienced logicians and mathematicians.

  17. Markov model

    Indian Academy of Sciences (India)

    2School of Water Resources, Indian Institute of Technology,. Kharagpur ... the most accepted method for modelling LULCC using current .... We used UTM coordinate system with zone 45 .... need to develop criteria for making decision about.

  18. Paleoclimate Modeling

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Computer simulations of past climate. Variables provided as model output are described by parameter keyword. In some cases the parameter keywords are a subset of all...

  19. Energy Models

    Science.gov (United States)

    Energy models characterize the energy system, its evolution, and its interactions with the broader economy. The energy system consists of primary resources, including both fossil fuels and renewables; power plants, refineries, and other technologies to process and convert these r...

  20. Linear Models

    CERN Document Server

    Searle, Shayle R

    2012-01-01

    This 1971 classic on linear models is once again available--as a Wiley Classics Library Edition. It features material that can be understood by any statistician who understands matrix algebra and basic statistical methods.

  1. Phase-field modelling of microstructural evolution and properties

    Science.gov (United States)

    Zhu, Jingzhi

    As one of the most powerful techniques in computational materials science, the diffuse-interface phase-field model has been widely employed for simulating various meso-scale microstructural evolution processes. The main purpose of this thesis is to develop a quantitative phase-field model for predicting microstructures and properties in real alloy systems which can be linked to existing thermodynamic/kinetic databases and parameters obtained from experimental measurements or first-principle calculations. To achieve this goal; many factors involved in complicated real systems are investigated, many of which are often simplified or ignored in existing models, e.g. the dependence of diffusional atomic mobility and elastic constants on composition. Efficient numerical techniques must be developed to solve those partial differential equations that are involved in modelling microstructural evolutions and properties. In this thesis, different spectral methods were proposed for the time-dependent phase-field kinetic equations and diffusion equations. For solving the elastic equilibrium equation with the consideration of elastic inhomogeneity, a conjugate gradient method was utilized. The numerical approaches developed were generally found to be more accurate and efficient than conventional approach such as finite difference method. A composition-dependent Cahn-Hilliard equation was solved by using a semi-implicit Fourier-spectral method. It was shown that the morphological evolutions in bulk-diffusion-controlled coarsening and interface-diffusion-controlled developed similar patterns and scaling behaviors. For bulk-diffusion-controlled coarsening, a cubic growth law was obeyed in the scaling regime, whereas a fourth power growth law was observed for interface-diffusion-controlled coarsening. The characteristics of a microstructure under the influence of elastic energy depend on elastic properties such as elastic anisotropy, lattice mismatch, elastic inhomogeneity and

  2. Ventilation models

    Science.gov (United States)

    Skaaret, Eimund

    Calculation procedures, used in the design of ventilating systems, which are especially suited for displacement ventilation in addition to linking it to mixing ventilation, are addressed. The two zone flow model is considered and the steady state and transient solutions are addressed. Different methods of supplying air are discussed, and different types of air flow are considered: piston flow, plane flow and radial flow. An evaluation model for ventilation systems is presented.

  3. INVESTIGATION OF THE PUZZLING ABUNDANCE PATTERN IN THE STARS OF THE FORNAX DWARF SPHEROIDAL GALAXY

    Energy Technology Data Exchange (ETDEWEB)

    Li Hongjie; Cui Wenyuan; Zhang Bo, E-mail: zhangbo@mail.hebtu.edu.cn [Department of Physics, Hebei Normal University, No. 20 East of South 2nd Ring Road, Shijiazhuang 050024 (China)

    2013-09-20

    Many works have found unusual characteristics of elemental abundances in nearby dwarf galaxies. This implies that there is a key factor of galactic evolution that is different from that of the Milky Way (MW). The chemical abundances of the stars in the Fornax dwarf spheroidal galaxy (Fornax dSph) provide excellent information for setting constraints on the models of galactic chemical evolution. In this work, adopting the five-component approach, we fit the abundances of the Fornax dSph stars, including {alpha} elements, iron group elements, and neutron-capture elements. For most sample stars, the relative contributions from the various processes to the elemental abundances are not usually in the MW proportions. We find that the contributions from massive stars to the primary {alpha} elements and iron group elements increase monotonically with increasing [Fe/H]. This means that the effect of the galactic wind is not strong enough to halt star formation and the contributions from the massive stars to {alpha} elements did not halt for [Fe/H] {approx}< -0.5. The average contribution ratios of various processes between the dSph stars and the MW stars monotonically decrease with increasing progenitor mass. This is important evidence of a bottom-heavy initial mass function (IMF) for the Fornax dSph, compared to the MW. Considering a bottom-heavy IMF for the dSph, the observed relations of [{alpha}/Fe] versus [Fe/H], [iron group/Fe] versus [Fe/H], and [neutron-capture/Fe] versus [Fe/H] for the dSph stars can be explained.

  4. LoCuSS: THE SUNYAEV-ZEL'DOVICH EFFECT AND WEAK-LENSING MASS SCALING RELATION

    Energy Technology Data Exchange (ETDEWEB)

    Marrone, Daniel P.; Carlstrom, John E.; Gralla, Megan; Greer, Christopher H.; Hennessy, Ryan; Leitch, Erik M.; Plagge, Thomas [Kavli Institute for Cosmological Physics, University of Chicago, Chicago, IL 60637 (United States); Smith, Graham P. [School of Physics and Astronomy, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Okabe, Nobuhiro [Astronomical Institute, Tohoku University, Aramaki, Aoba-ku, Sendai, 980-8578 (Japan); Bonamente, Massimiliano; Hasler, Nicole [Department of Physics, University of Alabama, Huntsville, AL 35899 (United States); Culverhouse, Thomas L. [Radio Astronomy Lab, 601 Campbell Hall, University of California, Berkeley, CA 94720 (United States); Hawkins, David; Lamb, James W.; Muchovej, Stephen [Owens Valley Radio Observatory, California Institute of Technology, Big Pine, CA 93513 (United States); Joy, Marshall [Space Science-VP62, NASA Marshall Space Flight Center, Huntsville, AL 35812 (United States); Martino, Rossella; Mazzotta, Pasquale [Dipartimento di Fisica, Universita degli Studi di Roma ' Tor Vergata' , via della Ricerca Scientifica 1, 00133, Roma (Italy); Miller, Amber [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Mroczkowski, Tony, E-mail: dmarrone@email.arizona.edu [Department of Physics and Astronomy, University of Pennsylvania, Philadelphia, PA 19104 (United States); and others

    2012-08-01

    We present the first weak-lensing-based scaling relation between galaxy cluster mass, M{sub WL}, and integrated Compton parameter Y{sub sph}. Observations of 18 galaxy clusters at z {approx_equal} 0.2 were obtained with the Subaru 8.2 m telescope and the Sunyaev-Zel'dovich Array. The M{sub WL}-Y{sub sph} scaling relations, measured at {Delta} = 500, 1000, and 2500 {rho}{sub c}, are consistent in slope and normalization with previous results derived under the assumption of hydrostatic equilibrium (HSE). We find an intrinsic scatter in M{sub WL} at fixed Y{sub sph} of 20%, larger than both previous measurements of M{sub HSE}-Y{sub sph} scatter as well as the scatter in true mass at fixed Y{sub sph} found in simulations. Moreover, the scatter in our lensing-based scaling relations is morphology dependent, with 30%-40% larger M{sub WL} for undisturbed compared to disturbed clusters at the same Y{sub sph} at r{sub 500}. Further examination suggests that the segregation may be explained by the inability of our spherical lens models to faithfully describe the three-dimensional structure of the clusters, in particular, the structure along the line of sight. We find that the ellipticity of the brightest cluster galaxy, a proxy for halo orientation, correlates well with the offset in mass from the mean scaling relation, which supports this picture. This provides empirical evidence that line-of-sight projection effects are an important systematic uncertainty in lensing-based scaling relations.

  5. Model uncertainty: Probabilities for models?

    International Nuclear Information System (INIS)

    Winkler, R.L.

    1994-01-01

    Like any other type of uncertainty, model uncertainty should be treated in terms of probabilities. The question is how to do this. The most commonly-used approach has a drawback related to the interpretation of the probabilities assigned to the models. If we step back and look at the big picture, asking what the appropriate focus of the model uncertainty question should be in the context of risk and decision analysis, we see that a different probabilistic approach makes more sense, although it raise some implementation questions. Current work that is underway to address these questions looks very promising

  6. Thermocouple modeling

    International Nuclear Information System (INIS)

    Fryer, M.O.

    1984-01-01

    The temperature measurements provided by thermocouples (TCs) are important for the operation of pressurized water reactors. During severe inadequate core cooling incidents, extreme temperatures may cause type K thermocouples (TCs) used for core exit temperature monitoring to perform poorly. A model of TC electrical behavior has been developed to determine how TCs react under extreme temperatures. The model predicts the voltage output of the TC and its impedance. A series of experiments were conducted on a length of type K thermocouple to validate the model. Impedance was measured at several temperatures between 22 0 C and 1100 0 C and at frequencies between dc and 10 MHz. The model was able to accurately predict impedance over this wide range of conditions. The average percentage difference between experimental data and the model was less than 6.5%. Experimental accuracy was +-2.5%. There is a sriking difference between impedance versus frequency plots at 300 0 C and at higher temperatures. This may be useful in validating TC data during accident conditions

  7. A Finite Difference, Semi-implicit, Equation-of-State Efficient Algorithm for the Compositional Flow Modeling in the Subsurface: Numerical Examples

    KAUST Repository

    Saavedra, Sebastian

    2012-07-01

    The mathematical model that has been recognized to have the more accurate approximation to the physical laws govern subsurface hydrocarbon flow in reservoirs is the Compositional Model. The features of this model are adequate to describe not only the performance of a multiphase system but also to represent the transport of chemical species in a porous medium. Its importance relies not only on its current relevance to simulate petroleum extraction processes, such as, Primary, Secondary, and Enhanced Oil Recovery Process (EOR) processes but also, in the recent years, carbon dioxide (CO2) sequestration. The purpose of this study is to investigate the subsurface compositional flow under isothermal conditions for several oil well cases. While simultaneously addressing computational implementation finesses to contribute to the efficiency of the algorithm. This study provides the theoretical framework and computational implementation subtleties of an IMplicit Pressure Explicit Composition (IMPEC)-Volume-balance (VB), two-phase, equation-of-state, approach to model isothermal compositional flow based on the finite difference scheme. The developed model neglects capillary effects and diffusion. From the phase equilibrium premise, the model accounts for volumetric performances of the phases, compressibility of the phases, and composition-dependent viscosities. The Equation of State (EoS) employed to approximate the hydrocarbons behaviour is the Peng Robinson Equation of State (PR-EOS). Various numerical examples were simulated. The numerical results captured the complex physics involved, i.e., compositional, gravitational, phase-splitting, viscosity and relative permeability effects. Regarding the numerical scheme, a phase-volumetric-flux estimation eases the calculation of phase velocities by naturally fitting to phase-upstream-upwinding. And contributes to a faster computation and an efficient programming development.

  8. Dynamic Linkages Between the Transition Zone & Surface Plate Motions in 2D Models of Subduction

    Science.gov (United States)

    Arredondo, K.; Billen, M. I.

    2013-12-01

    While slab pull is considered the dominant force controlling plate motion and speed, its magnitude is controlled by slab behavior in the mantle, where tomographic studies show a wide range of possibilities from direct penetration to folding, or stagnation directly above the lower mantle (e.g. Fukao et al., 2009). Geodynamic studies have investigated various parameters, such as plate age and two phase transitions, to recreate observed behavior (e.g. Běhounková and Cízková, 2008). However, past geodynamic models have left out known slab characteristics that may have a large impact on slab behavior and our understanding of subduction processes. Mineral experiments and seismic observations have indicated the existence of additional phase transitions in the mantle transition zone that may produce buoyancy forces large enough to affect the descent of a subducting slab (e.g. Ricard et al., 2005). The current study systematically tests different common assumptions used in geodynamic models: kinematic versus free-slip boundary conditions, the effects of adiabatic heating, viscous dissipation and latent heat, compositional layering and a more complete suite of phase transitions. Final models have a complete energy equation, with eclogite, harzburgite and pyrolite lithosphere compositional layers, and seven composition-dependent phase transitions within the olivine, pyroxene and garnet polymorph minerals. Results show important feedback loops between different assumptions and new behavior from the most complete models. Kinematic models show slab weakening or breaking above the 660 km boundary and between compositional layers. The behavior in dynamic models with a free-moving trench and overriding plate is compared to the more commonly found kinematic models. The new behavior may have important implications for the depth distribution of deep earthquakes within the slab. Though the thermodynamic parameters of certain phase transitions may be uncertain, their presence and

  9. Photoionization Modeling

    Science.gov (United States)

    Kallman, T.

    2010-01-01

    Warm absorber spectra are characterized by the many lines from partially ionized intermediate-Z elements, and iron, detected with the grating instruments on Chandra and XMM-Newton. If these ions are formed in a gas which is in photoionization equilibrium, they correspond to a broad range of ionization parameters, although there is evidence for certain preferred values. A test for any dynamical model for these outflows is to reproduce these properties, at some level of detail. In this paper we present a statistical analysis of the ionization distribution which can be applied both the observed spectra and to theoretical models. As an example, we apply it to our dynamical models for warm absorber outflows, based on evaporation from the molecular torus.

  10. Reflectance Modeling

    Science.gov (United States)

    Smith, J. A.; Cooper, K.; Randolph, M.

    1984-01-01

    A classical description of the one dimensional radiative transfer treatment of vegetation canopies was completed and the results were tested against measured prairie (blue grama) and agricultural canopies (soybean). Phase functions are calculated in terms of directly measurable biophysical characteristics of the canopy medium. While the phase functions tend to exhibit backscattering anisotropy, their exact behavior is somewhat more complex and wavelength dependent. A Monte Carlo model was developed that treats soil surfaces with large periodic variations in three dimensions. A photon-ray tracing technology is used. Currently, the rough soil surface is described by analytic functions and appropriate geometric calculations performed. A bidirectional reflectance distribution function is calculated and, hence, available for other atmospheric or canopy reflectance models as a lower boundary condition. This technique is used together with an adding model to calculate several cases where Lambertian leaves possessing anisotropic leaf angle distributions yield non-Lambertian reflectance; similar behavior is exhibited for simulated soil surfaces.

  11. Mathematical modeling

    CERN Document Server

    Eck, Christof; Knabner, Peter

    2017-01-01

    Mathematical models are the decisive tool to explain and predict phenomena in the natural and engineering sciences. With this book readers will learn to derive mathematical models which help to understand real world phenomena. At the same time a wealth of important examples for the abstract concepts treated in the curriculum of mathematics degrees are given. An essential feature of this book is that mathematical structures are used as an ordering principle and not the fields of application. Methods from linear algebra, analysis and the theory of ordinary and partial differential equations are thoroughly introduced and applied in the modeling process. Examples of applications in the fields electrical networks, chemical reaction dynamics, population dynamics, fluid dynamics, elasticity theory and crystal growth are treated comprehensively.

  12. Simulations of reactive transport and precipitation with smoothed particle hydrodynamics

    Science.gov (United States)

    Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.

    2007-03-01

    A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.

  13. Modelling language

    CERN Document Server

    Cardey, Sylviane

    2013-01-01

    In response to the need for reliable results from natural language processing, this book presents an original way of decomposing a language(s) in a microscopic manner by means of intra/inter‑language norms and divergences, going progressively from languages as systems to the linguistic, mathematical and computational models, which being based on a constructive approach are inherently traceable. Languages are described with their elements aggregating or repelling each other to form viable interrelated micro‑systems. The abstract model, which contrary to the current state of the art works in int

  14. Molecular modeling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-01-01

    Full Text Available The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and the exponential growth of the knowledge of protein structures have made it possible for organic compounds to be tailored to decrease the harmful side effects and increase the potency. This article provides a detailed description of the techniques employed in molecular modeling. Molecular modeling is a rapidly developing discipline, and has been supported by the dramatic improvements in computer hardware and software in recent years.

  15. Supernova models

    International Nuclear Information System (INIS)

    Woosley, S.E.; Weaver, T.A.

    1980-01-01

    Recent progress in understanding the observed properties of Type I supernovae as a consequence of the thermonuclear detonation of white dwarf stars and the ensuing decay of the 56 Ni produced therein is reviewed. Within the context of this model for Type I explosions and the 1978 model for Type II explosions, the expected nucleosynthesis and gamma-line spectra from both kinds of supernovae are presented. Finally, a qualitatively new approach to the problem of massive star death and Type II supernovae based upon a combination of rotation and thermonuclear burning is discussed

  16. Painting models

    Science.gov (United States)

    Baart, F.; Donchyts, G.; van Dam, A.; Plieger, M.

    2015-12-01

    The emergence of interactive art has blurred the line between electronic, computer graphics and art. Here we apply this art form to numerical models. Here we show how the transformation of a numerical model into an interactive painting can both provide insights and solve real world problems. The cases that are used as an example include forensic reconstructions, dredging optimization, barrier design. The system can be fed using any source of time varying vector fields, such as hydrodynamic models. The cases used here, the Indian Ocean (HYCOM), the Wadden Sea (Delft3D Curvilinear), San Francisco Bay (3Di subgrid and Delft3D Flexible Mesh), show that the method used is suitable for different time and spatial scales. High resolution numerical models become interactive paintings by exchanging their velocity fields with a high resolution (>=1M cells) image based flow visualization that runs in a html5 compatible web browser. The image based flow visualization combines three images into a new image: the current image, a drawing, and a uv + mask field. The advection scheme that computes the resultant image is executed in the graphics card using WebGL, allowing for 1M grid cells at 60Hz performance on mediocre graphic cards. The software is provided as open source software. By using different sources for a drawing one can gain insight into several aspects of the velocity fields. These aspects include not only the commonly represented magnitude and direction, but also divergence, topology and turbulence .

  17. Entrepreneurship Models.

    Science.gov (United States)

    Finger Lakes Regional Education Center for Economic Development, Mount Morris, NY.

    This guide describes seven model programs that were developed by the Finger Lakes Regional Center for Economic Development (New York) to meet the training needs of female and minority entrepreneurs to help their businesses survive and grow and to assist disabled and dislocated workers and youth in beginning small businesses. The first three models…

  18. Lens Model

    DEFF Research Database (Denmark)

    Nash, Ulrik William

    2014-01-01

    Firms consist of people who make decisions to achieve goals. How do these people develop the expectations which underpin the choices they make? The lens model provides one answer to this question. It was developed by cognitive psychologist Egon Brunswik (1952) to illustrate his theory of probabil...

  19. Eclipse models

    International Nuclear Information System (INIS)

    Michel, F.C.

    1989-01-01

    This paper addresses the question of, if one overlooks their idiosyncratic difficulties, what could be learned from the various models about the pulsar wind? The wind model requires an MHD wind from the pulsar, namely, one with enough particles that the Poynting flux of the wind can be thermalized. Otherwise, there is no shock and the pulsar wind simply reflects like a flashlight beam. Additionally, a large flux of energetic radiation from the pulsar is required to accompany the wind and drive the wind off the companion. The magnetosphere model probably requires an EM wind, which is Poynting flux dominated. Reflection in this case would arguably minimize the intimate interaction between the two flows that leads to tail formation and thereby permit a weakly magnetized tail. The occulting disk model also would point to an EM wind so that the interaction would be pushed down onto the companion surface (to form the neutral fountain) and so as to also minimize direct interaction of the wind with the orbiting macroscopic particles

  20. (SSE) model

    African Journals Online (AJOL)

    Simple analytic polynomials have been proposed for estimating solar radiation in the traditional Northern, Central and Southern regions of Malawi. There is a strong agreement between the polynomials and the SSE model with R2 values of 0.988, 0.989 and 0.989 and root mean square errors of 0.061, 0.057 and 0.062 ...

  1. Successful modeling?

    Science.gov (United States)

    Lomnitz, Cinna

    Tichelaar and Ruff [1989] propose to “estimate model variance in complicated geophysical problems,” including the determination of focal depth in earthquakes, by means of unconventional statistical methods such as bootstrapping. They are successful insofar as they are able to duplicate the results from more conventional procedures.

  2. Defect modelling

    International Nuclear Information System (INIS)

    Norgett, M.J.

    1980-01-01

    Calculations, drawing principally on developments at AERE Harwell, of the relaxation about lattice defects are reviewed with emphasis on the techniques required for such calculations. The principles of defect modelling are outlined and various programs developed for defect simulations are discussed. Particular calculations for metals, ionic crystals and oxides, are considered. (UK)

  3. Cadastral Modeling

    DEFF Research Database (Denmark)

    Stubkjær, Erik

    2005-01-01

    to the modeling of an industrial sector, as it aims at rendering the basic concepts that relate to the domain of real estate and the pertinent human activities. The palpable objects are pieces of land and buildings, documents, data stores and archives, as well as persons in their diverse roles as owners, holders...

  4. The Model

    DEFF Research Database (Denmark)

    About the reconstruction of Palle Nielsen's (f. 1942) work The Model from 1968: a gigantic playground for children in the museum, where they can freely romp about, climb in ropes, crawl on wooden structures, work with tools, jump in foam rubber, paint with finger paints and dress up in costumes....

  5. Biotran model

    International Nuclear Information System (INIS)

    Wenzel, W.J.; Gallegos, A.F.; Rodgers, J.C.

    1985-01-01

    The BIOTRAN model was developed at Los Alamos to help predict short- and long-term consequences to man from releases of radionuclides into the environment. It is a dynamic model that simulates on a daily and yearly basis the flux of biomass, water, and radionuclides through terrestrial and aquatic ecosystems. Biomass, water, and radionuclides are driven within the ecosystems by climate variables stochastically generated by BIOTRAN each simulation day. The climate variables influence soil hydraulics, plant growth, evapotranspiration, and particle suspension and deposition. BIOTRAN has 22 different plant growth strategies for simulating various grasses, shrubs, trees, and crops. Ruminants and humans are also dynamically simulated by using the simulated crops and forage as intake for user-specified diets. BIOTRAN has been used at Los Alamos for long-term prediction of health effects to populations following potential accidental releases of uranium and plutonium. Newly developed subroutines are described: a human dynamic physiological and metabolic model; a soil hydrology and irrigation model; limnetic nutrient and radionuclide cycling in fresh-water lakes. 7 references

  6. Turbulence Model

    DEFF Research Database (Denmark)

    Nielsen, Mogens Peter; Shui, Wan; Johansson, Jens

    2011-01-01

    term with stresses depending linearly on the strain rates. This term takes into account the transfer of linear momentum from one part of the fluid to another. Besides there is another term, which takes into account the transfer of angular momentum. Thus the model implies a new definition of turbulence...

  7. Hydroballistics Modeling

    Science.gov (United States)

    1975-01-01

    thai h’liathe0in antd is finaull’ %IIIrd alt %tramlit And drohlttle. Mike aplpars Ito inua•,e upward in outler a rei and dowoi. ward it %iunr areli, Oil...fiducial marks should be constant and the edges phobic nor hydrophilic is better for routine sharpl ) defined. model testing. Before each launching in

  8. Molecular Modeling

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 5. Molecular Modeling: A Powerful Tool for Drug Design and Molecular Docking. Rama Rao Nadendla. General Article Volume 9 Issue 5 May 2004 pp 51-60. Fulltext. Click here to view fulltext PDF. Permanent link:

  9. Criticality Model

    International Nuclear Information System (INIS)

    Alsaed, A.

    2004-01-01

    The ''Disposal Criticality Analysis Methodology Topical Report'' (YMP 2003) presents the methodology for evaluating potential criticality situations in the monitored geologic repository. As stated in the referenced Topical Report, the detailed methodology for performing the disposal criticality analyses will be documented in model reports. Many of the models developed in support of the Topical Report differ from the definition of models as given in the Office of Civilian Radioactive Waste Management procedure AP-SIII.10Q, ''Models'', in that they are procedural, rather than mathematical. These model reports document the detailed methodology necessary to implement the approach presented in the Disposal Criticality Analysis Methodology Topical Report and provide calculations utilizing the methodology. Thus, the governing procedure for this type of report is AP-3.12Q, ''Design Calculations and Analyses''. The ''Criticality Model'' is of this latter type, providing a process evaluating the criticality potential of in-package and external configurations. The purpose of this analysis is to layout the process for calculating the criticality potential for various in-package and external configurations and to calculate lower-bound tolerance limit (LBTL) values and determine range of applicability (ROA) parameters. The LBTL calculations and the ROA determinations are performed using selected benchmark experiments that are applicable to various waste forms and various in-package and external configurations. The waste forms considered in this calculation are pressurized water reactor (PWR), boiling water reactor (BWR), Fast Flux Test Facility (FFTF), Training Research Isotope General Atomic (TRIGA), Enrico Fermi, Shippingport pressurized water reactor, Shippingport light water breeder reactor (LWBR), N-Reactor, Melt and Dilute, and Fort Saint Vrain Reactor spent nuclear fuel (SNF). The scope of this analysis is to document the criticality computational method. The criticality

  10. Microstructure Hierarchical Model of Competitive e+-Ps Trapping in Nanostructurized Substances: from Nanoparticle-Uniform to Nanoparticle-Biased Systems.

    Science.gov (United States)

    Shpotyuk, Oleh; Ingram, Adam; Bujňáková, Zdenka; Baláž, Peter

    2017-12-01

    Microstructure hierarchical model considering the free-volume elements at the level of interacting crystallites (non-spherical approximation) and the agglomerates of these crystallites (spherical approximation) was developed to describe free-volume evolution in mechanochemically milled As 4 S 4 /ZnS composites employing positron annihilation spectroscopy in a lifetime measuring mode. Positron lifetime spectra were reconstructed from unconstrained three-term decomposition procedure and further subjected to parameterization using x3-x2-coupling decomposition algorithm. Intrinsic inhomogeneities due to coarse-grained As 4 S 4 and fine-grained ZnS nanoparticles were adequately described in terms of substitution trapping in positron and positronium (Ps) (bound positron-electron) states due to interfacial triple junctions between contacting particles and own free-volume defects in boundary compounds. Compositionally dependent nanostructurization in As 4 S 4 /ZnS nanocomposite system was imagined as conversion from o-Ps trapping sites to positron traps. The calculated trapping parameters that were shown could be useful to characterize adequately the nanospace filling in As 4 S 4 /ZnS composites.

  11. The shape-alignment relation in Lambda cold dark matter cosmic structures

    NARCIS (Netherlands)

    Basilakos, S; Plionis, M; Yepes, G; Gottlober, S; Turchaninov, [No Value

    2006-01-01

    In this paper, we study the supercluster-cluster morphological properties using one of the largest (2 x 512(3)) smoothed particle hydrodynamics (SPH)+N-body simulations of large-scale structure formation in a Lambda cold dark matter (Lambda CDM) model, based on the publicly available code GADGET. We

  12. Building Models and Building Modelling

    DEFF Research Database (Denmark)

    Jørgensen, Kaj; Skauge, Jørn

    2008-01-01

    I rapportens indledende kapitel beskrives de primære begreber vedrørende bygningsmodeller og nogle fundamentale forhold vedrørende computerbaseret modulering bliver opstillet. Desuden bliver forskellen mellem tegneprogrammer og bygnings­model­lerings­programmer beskrevet. Vigtige aspekter om comp...

  13. Persistent Modelling

    DEFF Research Database (Denmark)

    2012-01-01

    The relationship between representation and the represented is examined here through the notion of persistent modelling. This notion is not novel to the activity of architectural design if it is considered as describing a continued active and iterative engagement with design concerns – an evident....... It also provides critical insight into the use of contemporary modelling tools and methods, together with an examination of the implications their use has within the territories of architectural design, realisation and experience....... on this subject, this book makes essential reading for anyone considering new ways of thinking about architecture. In drawing upon both historical and contemporary perspectives this book provides evidence of the ways in which relations between representation and the represented continue to be reconsidered...

  14. Persistent Modelling

    DEFF Research Database (Denmark)

    The relationship between representation and the represented is examined here through the notion of persistent modelling. This notion is not novel to the activity of architectural design if it is considered as describing a continued active and iterative engagement with design concerns – an evident....... It also provides critical insight into the use of contemporary modelling tools and methods, together with an examination of the implications their use has within the territories of architectural design, realisation and experience....... on this subject, this book makes essential reading for anyone considering new ways of thinking about architecture. In drawing upon both historical and contemporary perspectives this book provides evidence of the ways in which relations between representation and the represented continue to be reconsidered...

  15. Acyclic models

    CERN Document Server

    Barr, Michael

    2002-01-01

    Acyclic models is a method heavily used to analyze and compare various homology and cohomology theories appearing in topology and algebra. This book is the first attempt to put together in a concise form this important technique and to include all the necessary background. It presents a brief introduction to category theory and homological algebra. The author then gives the background of the theory of differential modules and chain complexes over an abelian category to state the main acyclic models theorem, generalizing and systemizing the earlier material. This is then applied to various cohomology theories in algebra and topology. The volume could be used as a text for a course that combines homological algebra and algebraic topology. Required background includes a standard course in abstract algebra and some knowledge of topology. The volume contains many exercises. It is also suitable as a reference work for researchers.

  16. Molecular Modelling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-12-01

    Full Text Available

    The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important
    tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and
    the exponential growth of the knowledge of protein structures have made it possible for organic compounds to tailored to
    decrease harmful side effects and increase the potency. This article provides a detailed description of the techniques
    employed in molecular modeling. Molecular modelling is a rapidly developing discipline, and has been supported from
    the dramatic improvements in computer hardware and software in recent years.

  17. RNICE Model

    DEFF Research Database (Denmark)

    Pedersen, Mogens Jin; Stritch, Justin Michael

    2018-01-01

    Replication studies relate to the scientific principle of replicability and serve the significant purpose of providing supporting (or contradicting) evidence regarding the existence of a phenomenon. However, replication has never been an integral part of public administration and management...... research. Recently, scholars have issued calls for more replication, but academic reflections on when replication adds substantive value to public administration and management research are needed. This concise article presents a conceptual model, RNICE, for assessing when and how a replication study...... contributes knowledge about a social phenomenon and advances knowledge in the public administration and management literatures. The RNICE model provides a vehicle for researchers who seek to evaluate or demonstrate the value of a replication study systematically. We illustrate the practical application...

  18. Maturity Models

    DEFF Research Database (Denmark)

    Lasrado, Lester Allan; Vatrapu, Ravi

    2016-01-01

    Recent advancements in set theory and readily available software have enabled social science researchers to bridge the variable-centered quantitative and case-based qualitative methodological paradigms in order to analyze multi-dimensional associations beyond the linearity assumptions, aggregate...... effects, unicausal reduction, and case specificity. Based on the developments in set theoretical thinking in social sciences and employing methods like Qualitative Comparative Analysis (QCA), Necessary Condition Analysis (NCA), and set visualization techniques, in this position paper, we propose...... and demonstrate a new approach to maturity models in the domain of Information Systems. This position paper describes the set-theoretical approach to maturity models, presents current results and outlines future research work....

  19. Modelling Defiguration

    DEFF Research Database (Denmark)

    Bork Petersen, Franziska

    2013-01-01

    advantageous manner. Stepping on the catwalk’s sloping, moving surfaces decelerates the models’ walk and makes it cautious, hesitant and shaky: suddenly the models lack exactly the affirmative, staccato, striving quality of motion, and the condescending expression that they perform on most contemporary......For the presentation of his autumn/winter 2012 collection in Paris and subsequently in Copenhagen, Danish designer Henrik Vibskov installed a mobile catwalk. The article investigates the choreographic impact of this scenography on those who move through it. Drawing on Dance Studies, the analytical...... focus centres on how the catwalk scenography evokes a ‘defiguration’ of the walking models and to what effect. Vibskov’s mobile catwalk draws attention to the walk, which is a key element of models’ performance but which usually functions in fashion shows merely to present clothes in the most...

  20. Cheating models

    DEFF Research Database (Denmark)

    Arnoldi, Jakob

    The article discusses the use of algorithmic models for so-called High Frequency Trading (HFT) in finance. HFT is controversial yet widespread in modern financial markets. It is a form of automated trading technology which critics among other things claim can lead to market manipulation. Drawing....... The article analyses these challenges and argues that we witness a new post-social form of human-technology interaction that will lead to a reconfiguration of professional codes for financial trading....

  1. Biomimetic modelling.

    OpenAIRE

    Vincent, Julian F V

    2003-01-01

    Biomimetics is seen as a path from biology to engineering. The only path from engineering to biology in current use is the application of engineering concepts and models to biological systems. However, there is another pathway: the verification of biological mechanisms by manufacture, leading to an iterative process between biology and engineering in which the new understanding that the engineering implementation of a biological system can bring is fed back into biology, allowing a more compl...

  2. Ozone modeling

    Energy Technology Data Exchange (ETDEWEB)

    McIllvaine, C M

    1994-07-01

    Exhaust gases from power plants that burn fossil fuels contain concentrations of sulfur dioxide (SO{sub 2}), nitric oxide (NO), particulate matter, hydrocarbon compounds and trace metals. Estimated emissions from the operation of a hypothetical 500 MW coal-fired power plant are given. Ozone is considered a secondary pollutant, since it is not emitted directly into the atmosphere but is formed from other air pollutants, specifically, nitrogen oxides (NO), and non-methane organic compounds (NMOQ) in the presence of sunlight. (NMOC are sometimes referred to as hydrocarbons, HC, or volatile organic compounds, VOC, and they may or may not include methane). Additionally, ozone formation Alternative is a function of the ratio of NMOC concentrations to NO{sub x} concentrations. A typical ozone isopleth is shown, generated with the Empirical Kinetic Modeling Approach (EKMA) option of the Environmental Protection Agency's (EPA) Ozone Isopleth Plotting Mechanism (OZIPM-4) model. Ozone isopleth diagrams, originally generated with smog chamber data, are more commonly generated with photochemical reaction mechanisms and tested against smog chamber data. The shape of the isopleth curves is a function of the region (i.e. background conditions) where ozone concentrations are simulated. The location of an ozone concentration on the isopleth diagram is defined by the ratio of NMOC and NO{sub x} coordinates of the point, known as the NMOC/NO{sub x} ratio. Results obtained by the described model are presented.

  3. Ozone modeling

    International Nuclear Information System (INIS)

    McIllvaine, C.M.

    1994-01-01

    Exhaust gases from power plants that burn fossil fuels contain concentrations of sulfur dioxide (SO 2 ), nitric oxide (NO), particulate matter, hydrocarbon compounds and trace metals. Estimated emissions from the operation of a hypothetical 500 MW coal-fired power plant are given. Ozone is considered a secondary pollutant, since it is not emitted directly into the atmosphere but is formed from other air pollutants, specifically, nitrogen oxides (NO), and non-methane organic compounds (NMOQ) in the presence of sunlight. (NMOC are sometimes referred to as hydrocarbons, HC, or volatile organic compounds, VOC, and they may or may not include methane). Additionally, ozone formation Alternative is a function of the ratio of NMOC concentrations to NO x concentrations. A typical ozone isopleth is shown, generated with the Empirical Kinetic Modeling Approach (EKMA) option of the Environmental Protection Agency's (EPA) Ozone Isopleth Plotting Mechanism (OZIPM-4) model. Ozone isopleth diagrams, originally generated with smog chamber data, are more commonly generated with photochemical reaction mechanisms and tested against smog chamber data. The shape of the isopleth curves is a function of the region (i.e. background conditions) where ozone concentrations are simulated. The location of an ozone concentration on the isopleth diagram is defined by the ratio of NMOC and NO x coordinates of the point, known as the NMOC/NO x ratio. Results obtained by the described model are presented

  4. Animal models.

    Science.gov (United States)

    Walker, Ellen A

    2010-01-01

    As clinical studies reveal that chemotherapeutic agents may impair several different cognitive domains in humans, the development of preclinical animal models is critical to assess the degree of chemotherapy-induced learning and memory deficits and to understand the underlying neural mechanisms. In this chapter, the effects of various cancer chemotherapeutic agents in rodents on sensory processing, conditioned taste aversion, conditioned emotional response, passive avoidance, spatial learning, cued memory, discrimination learning, delayed-matching-to-sample, novel-object recognition, electrophysiological recordings and autoshaping is reviewed. It appears at first glance that the effects of the cancer chemotherapy agents in these many different models are inconsistent. However, a literature is emerging that reveals subtle or unique changes in sensory processing, acquisition, consolidation and retrieval that are dose- and time-dependent. As more studies examine cancer chemotherapeutic agents alone and in combination during repeated treatment regimens, the animal models will become more predictive tools for the assessment of these impairments and the underlying neural mechanisms. The eventual goal is to collect enough data to enable physicians to make informed choices about therapeutic regimens for their patients and discover new avenues of alternative or complementary therapies that reduce or eliminate chemotherapy-induced cognitive deficits.

  5. Modeling biomembranes.

    Energy Technology Data Exchange (ETDEWEB)

    Plimpton, Steven James; Heffernan, Julieanne; Sasaki, Darryl Yoshio; Frischknecht, Amalie Lucile; Stevens, Mark Jackson; Frink, Laura J. Douglas

    2005-11-01

    Understanding the properties and behavior of biomembranes is fundamental to many biological processes and technologies. Microdomains in biomembranes or ''lipid rafts'' are now known to be an integral part of cell signaling, vesicle formation, fusion processes, protein trafficking, and viral and toxin infection processes. Understanding how microdomains form, how they depend on membrane constituents, and how they act not only has biological implications, but also will impact Sandia's effort in development of membranes that structurally adapt to their environment in a controlled manner. To provide such understanding, we created physically-based models of biomembranes. Molecular dynamics (MD) simulations and classical density functional theory (DFT) calculations using these models were applied to phenomena such as microdomain formation, membrane fusion, pattern formation, and protein insertion. Because lipid dynamics and self-organization in membranes occur on length and time scales beyond atomistic MD, we used coarse-grained models of double tail lipid molecules that spontaneously self-assemble into bilayers. DFT provided equilibrium information on membrane structure. Experimental work was performed to further help elucidate the fundamental membrane organization principles.

  6. Development and Verification of Smoothed Particle Hydrodynamics Code for Analysis of Tsunami near NPP

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Young Beom; Kim, Eung Soo [Seoul National Univ., Seoul (Korea, Republic of)

    2014-10-15

    It becomes more complicated when considering the shape and phase of the ground below the seawater. Therefore, some different attempts are required to precisely analyze the behavior of tsunami. This paper introduces an on-going activities on code development in SNU based on an unconventional mesh-free fluid analysis method called Smoothed Particle Hydrodynamics (SPH) and its verification work with some practice simulations. This paper summarizes the on-going development and verification activities on Lagrangian mesh-free SPH code in SNU. The newly developed code can cover equation of motions and heat conduction equation so far, and verification of each models is completed. In addition, parallel computation using GPU is now possible, and GUI is also prepared. If users change input geometry or input values, they can simulate for various conditions geometries. A SPH method has large advantages and potential in modeling of free surface, highly deformable geometry and multi-phase problems that traditional grid-based code has difficulties in analysis. Therefore, by incorporating more complex physical models such as turbulent flow, phase change, two-phase flow, and even solid mechanics, application of the current SPH code is expected to be much more extended including molten fuel behaviors in the sever accident.

  7. Model visionary

    Energy Technology Data Exchange (ETDEWEB)

    Chandler, Graham

    2011-03-15

    Ken Dedeluk is the president and CEO of Computer Modeling Group (CMG). Dedeluk started his career with Gulf Oil in 1972, worked in computer assisted design; then joined Imperial Esso and Shell, where he became international operations' VP; and finally joined CMG in 1998. CMG made a decision that turned out to be the company's turning point: they decided to provide intensive support and service to their customer to better use their technology. Thanks to this service, their customers' satisfaction grew as well as their revenues.

  8. Model integration and a theory of models

    OpenAIRE

    Dolk, Daniel R.; Kottemann, Jeffrey E.

    1993-01-01

    Model integration extends the scope of model management to include the dimension of manipulation as well. This invariably leads to comparisons with database theory. Model integration is viewed from four perspectives: Organizational, definitional, procedural, and implementational. Strategic modeling is discussed as the organizational motivation for model integration. Schema and process integration are examined as the logical and manipulation counterparts of model integr...

  9. Gas stripping and mixing in galaxy clusters: a numerical comparison study

    Science.gov (United States)

    Heß, Steffen; Springel, Volker

    2012-11-01

    The ambient hot intrahalo gas in clusters of galaxies is constantly fed and stirred by infalling galaxies, a process that can be studied in detail with cosmological hydrodynamical simulations. However, different numerical methods yield discrepant predictions for crucial hydrodynamical processes, leading for example to different entropy profiles in clusters of galaxies. In particular, the widely used Lagrangian smoothed particle hydrodynamics (SPH) scheme is suspected to strongly damp fluid instabilities and turbulence, which are both crucial to establish the thermodynamic structure of clusters. In this study, we test to which extent our recently developed Voronoi particle hydrodynamics (VPH) scheme yields different results for the stripping of gas out of infalling galaxies and for the bulk gas properties of cluster. We consider both the evolution of isolated galaxy models that are exposed to a stream of intracluster medium or are dropped into cluster models, as well as non-radiative cosmological simulations of cluster formation. We also compare our particle-based method with results obtained with a fundamentally different discretization approach as implemented in the moving-mesh code AREPO. We find that VPH leads to noticeably faster stripping of gas out of galaxies than SPH, in better agreement with the mesh-code than with SPH. We show that despite the fact that VPH in its present form is not as accurate as the moving mesh code in our investigated cases, its improved accuracy of gradient estimates makes VPH an attractive alternative to SPH.

  10. Numerical simulation of hemorrhage in human injury

    Science.gov (United States)

    Chong, Kwitae; Jiang, Chenfanfu; Santhanam, Anand; Benharash, Peyman; Teran, Joseph; Eldredge, Jeff

    2015-11-01

    Smoothed Particle Hydrodynamics (SPH) is adapted to simulate hemorrhage in the injured human body. As a Lagrangian fluid simulation, SPH uses fluid particles as computational elements and thus mass conservation is trivially satisfied. In order to ensure anatomical fidelity, a three-dimensional reconstruction of a portion of the human body -here, demonstrated on the lower leg- is sampled as skin, bone and internal tissue particles from the CT scan image of an actual patient. The injured geometry is then generated by simulation of ballistic projectiles passing through the anatomical model with the Material Point Method (MPM) and injured vessel segments are identified. From each such injured segment, SPH is used to simulate bleeding, with inflow boundary condition obtained from a coupled 1-d vascular tree model. Blood particles interact with impermeable bone and skin particles through the Navier-Stokes equations and with permeable internal tissue particles through the Brinkman equations. The SPH results are rendered in post-processing for improved visual fidelity. The overall simulation strategy is demonstrated on several injury scenarios in the lower leg.

  11. ALEPH model

    CERN Multimedia

    1989-01-01

    A wooden model of the ALEPH experiment and its cavern. ALEPH was one of 4 experiments at CERN's 27km Large Electron Positron collider (LEP) that ran from 1989 to 2000. During 11 years of research, LEP's experiments provided a detailed study of the electroweak interaction. Measurements performed at LEP also proved that there are three – and only three – generations of particles of matter. LEP was closed down on 2 November 2000 to make way for the construction of the Large Hadron Collider in the same tunnel. The cavern and detector are in separate locations - the cavern is stored at CERN and the detector is temporarily on display in Glasgow physics department. Both are available for loan.

  12. modelling distances

    Directory of Open Access Journals (Sweden)

    Robert F. Love

    2001-01-01

    Full Text Available Distance predicting functions may be used in a variety of applications for estimating travel distances between points. To evaluate the accuracy of a distance predicting function and to determine its parameters, a goodness-of-fit criteria is employed. AD (Absolute Deviations, SD (Squared Deviations and NAD (Normalized Absolute Deviations are the three criteria that are mostly employed in practice. In the literature some assumptions have been made about the properties of each criterion. In this paper, we present statistical analyses performed to compare the three criteria from different perspectives. For this purpose, we employ the ℓkpθ-norm as the distance predicting function, and statistically compare the three criteria by using normalized absolute prediction error distributions in seventeen geographical regions. We find that there exist no significant differences between the criteria. However, since the criterion SD has desirable properties in terms of distance modelling procedures, we suggest its use in practice.

  13. Smooth Particle Hydrodynamics-based Wind Representation

    Energy Technology Data Exchange (ETDEWEB)

    Prescott, Steven [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Curtis [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hess, Stephen [Idaho National Lab. (INL), Idaho Falls, ID (United States); Lin, Linyu [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sampath, Ram [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-12-01

    and computation time. An advanced method of combing results from grid-based methods with SPH through a data-driven model is proposed. This method could allow for more accurate simulation of particle movement near rigid bodies even with larger SPH particle sizes. If successful, the data-driven model would eliminate the need for a SPH turbulence model and increase the simulation domain size. Continued research beyond the scope of this project will be needed in order to determine the viability of a data-driven model.

  14. Comparison: Binomial model and Black Scholes model

    Directory of Open Access Journals (Sweden)

    Amir Ahmad Dar

    2018-03-01

    Full Text Available The Binomial Model and the Black Scholes Model are the popular methods that are used to solve the option pricing problems. Binomial Model is a simple statistical method and Black Scholes model requires a solution of a stochastic differential equation. Pricing of European call and a put option is a very difficult method used by actuaries. The main goal of this study is to differentiate the Binominal model and the Black Scholes model by using two statistical model - t-test and Tukey model at one period. Finally, the result showed that there is no significant difference between the means of the European options by using the above two models.

  15. Computational Modeling | Bioenergy | NREL

    Science.gov (United States)

    cell walls and are the source of biofuels and biomaterials. Our modeling investigates their properties . Quantum Mechanical Models NREL studies chemical and electronic properties and processes to reduce barriers Computational Modeling Computational Modeling NREL uses computational modeling to increase the

  16. Computational modelling of fibre-reinforced cementitious composites : An analysis of discrete and mesh-independent techniques

    NARCIS (Netherlands)

    Radtke, F.K.F.

    2012-01-01

    Failure patterns and mechanical behaviour of high performance fibre-reinforced cementitious composites depend to a large extent on the distribution of fibres within a specimen. A discrete treatment of fibres enables us to study the influence of various fibre distributions on the mechanical

  17. Satellite Collision Modeling with Physics-Based Hydrocodes: Debris Generation Predictions of the Iridium-Cosmos Collision Event and Other Impact Events

    International Nuclear Information System (INIS)

    Springer, H.K.; Miller, W.O.; Levatin, J.L.; Pertica, A.J.; Olivier, S.S.

    2010-01-01

    Satellite collision debris poses risks to existing space assets and future space missions. Predictive models of debris generated from these hypervelocity collisions are critical for developing accurate space situational awareness tools and effective mitigation strategies. Hypervelocity collisions involve complex phenomenon that spans several time- and length-scales. We have developed a satellite collision debris modeling approach consisting of a Lagrangian hydrocode enriched with smooth particle hydrodynamics (SPH), advanced material failure models, detailed satellite mesh models, and massively parallel computers. These computational studies enable us to investigate the influence of satellite center-of-mass (CM) overlap and orientation, relative velocity, and material composition on the size, velocity, and material type distributions of collision debris. We have applied our debris modeling capability to the recent Iridium 33-Cosmos 2251 collision event. While the relative velocity was well understood in this event, the degree of satellite CM overlap and orientation was ill-defined. In our simulations, we varied the collision CM overlap and orientation of the satellites from nearly maximum overlap to partial overlap on the outermost extents of the satellites (i.e, solar panels and gravity boom). As expected, we found that with increased satellite overlap, the overall debris cloud mass and momentum (transfer) increases, the average debris size decreases, and the debris velocity increases. The largest predicted debris can also provide insight into which satellite components were further removed from the impact location. A significant fraction of the momentum transfer is imparted to the smallest debris (< 1-5mm, dependent on mesh resolution), especially in large CM overlap simulations. While the inclusion of the smallest debris is critical to enforcing mass and momentum conservation in hydrocode simulations, there seems to be relatively little interest in their

  18. Evaluation on the Effect of Composition on Radiation Hardening and Embrittlement in Model FeCrAl Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Field, Kevin G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Briggs, Samuel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Edmondson, Philip [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hu, Xunxiang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Littrell, Kenneth C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Richard [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Parish, Chad M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yamamoto, Yukinori [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-18

    This report details the findings of post-radiation mechanical testing and microstructural characterization performed on a series of model and commercial FeCrAl alloys to assist with the development of a cladding technology with enhanced accident tolerance. The samples investigated include model alloys with simple ferritic grain structure and two commercial alloys with minor solute additions. These samples were irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) up to nominal doses of 7.0 dpa near or at Light Water Reactor (LWR) relevant temperatures (300-400 C). Characterization included a suite of techniques including small angle neutron scattering (SANS), atom probe tomography (APT), and transmission based electron microscopy techniques. Mechanical testing included tensile tests at room temperature on sub-sized tensile specimens. The goal of this work was to conduct detailed characterization and mechanical testing to begin establishing empirical and/or theoretical structure-property relationships for radiation-induced hardening and embrittlement in the FeCrAl alloy class. Development of such relationships will provide insight on the performance of FeCrAl alloys in an irradiation environment and will enable further development of the alloy class for applications within a LWR environment. A particular focus was made on establishing trends, including composition and radiation dose. The report highlights in detail the pertinent findings based on this work. This report shows that radiation hardening in the alloys is primarily composition dependent due to the phase separation in the high-Cr FeCrAl alloys. Other radiation induced/enhanced microstructural features were less dependent on composition and when observed at low number densities, were not a significant contributor to the observed mechanical responses. Pre-existing microstructure in the alloys was found to be important, with grain boundaries and pre-existing dislocation

  19. Inverse modelling of Köhler theory – Part 1: A response surface analysis of CCN spectra with respect to surface-active organic species

    Directory of Open Access Journals (Sweden)

    S. Lowe

    2016-09-01

    Carlo Markov Chain (MCMC approach to constraining parametric uncertainties.A complete treatment of bulk–surface partitioning is shown to predict CCN spectra similar to those calculated using classical Köhler theory with the surface tension of a pure water drop, as found in previous studies. In addition, model sensitivity to perturbations in the partitioning parameters was found to be negligible. As a result, this study supports previously held recommendations that complex surfactant effects might be neglected, and the continued use of classical Köhler theory in global climate models (GCMs is recommended to avoid an additional computational burden. The framework developed is suitable for application to many additional composition-dependent processes that might impact CCN activation potential. However, the focus of this study is to demonstrate the efficacy of the applied sensitivity analysis to identify important parameters in those processes and will be extended to facilitate a global sensitivity analysis and inverse aerosol–CCN closure analysis.

  20. Essays on model uncertainty in financial models

    NARCIS (Netherlands)

    Li, Jing

    2018-01-01

    This dissertation studies model uncertainty, particularly in financial models. It consists of two empirical chapters and one theoretical chapter. The first empirical chapter (Chapter 2) classifies model uncertainty into parameter uncertainty and misspecification uncertainty. It investigates the

  1. Determination model for cetane number of biodiesel at different fatty acid composition: a review

    Directory of Open Access Journals (Sweden)

    Michal Angelovič

    2014-05-01

    Full Text Available The most accepted definition of biodiesel is stated at the EU technical regulation EN 14214 (2008 or in the USA in ASTM 6751-02. As a result of this highly strict description only methyl esters of fatty acids conform to these definitions, nevertheless the term ‘‘biodiesel’’ is spread out to other alkyl fatty esters. Some countries have adopted bioethanol for replacement of methanol in biodiesel transesterification and thus assuring a fully biological fuel. Of course, such position brings some problems in fulfilling technical requirements of EN 14214 or ASTM 6751-02. Biodiesel is actually a less complex mixture than petrodiesel, but different feedstock origins and the effect of seasonality may impose difficulties in fuel quality control. Since biodiesel is an alternative diesel fuel derived from the transesterification of triacylglycerol comprised materials, such as vegetable oils or animal fats, with simple alcohols to furnish the corresponding mono-alkyl esters, its composition depends on the raw material used, the cultivated area location, and harvest time. The choice of the raw material is usually the most important factor for fluctuations of biodiesel composition, because different vegetable oils and animal fats may contain different types of fatty acids. Important properties of this fuel vary significantly with the composition of the mixture. Cetane number, melting point, degree of saturation, density, cloud point, pour point, viscosity, and nitrogen oxides exhaust emission (NOx, for instance, deserve to be mentioned. One of the most important fuel quality indicators is the cetane number; however its experimental determination may be an expensive and lengthy task. To weaken situation concerning biodiesel, the availability of data in the literature is also scarce. In such scenario, the use of reliable models to predict the cetane number or any other essential characteristic may be of great utility. We reviewed available literature to

  2. Vector models and generalized SYK models

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Cheng [Department of Physics, Brown University,Providence RI 02912 (United States)

    2017-05-23

    We consider the relation between SYK-like models and vector models by studying a toy model where a tensor field is coupled with a vector field. By integrating out the tensor field, the toy model reduces to the Gross-Neveu model in 1 dimension. On the other hand, a certain perturbation can be turned on and the toy model flows to an SYK-like model at low energy. A chaotic-nonchaotic phase transition occurs as the sign of the perturbation is altered. We further study similar models that possess chaos and enhanced reparameterization symmetries.

  3. Modeling styles in business process modeling

    NARCIS (Netherlands)

    Pinggera, J.; Soffer, P.; Zugal, S.; Weber, B.; Weidlich, M.; Fahland, D.; Reijers, H.A.; Mendling, J.; Bider, I.; Halpin, T.; Krogstie, J.; Nurcan, S.; Proper, E.; Schmidt, R.; Soffer, P.; Wrycza, S.

    2012-01-01

    Research on quality issues of business process models has recently begun to explore the process of creating process models. As a consequence, the question arises whether different ways of creating process models exist. In this vein, we observed 115 students engaged in the act of modeling, recording

  4. The IMACLIM model; Le modele IMACLIM

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This document provides annexes to the IMACLIM model which propose an actualized description of IMACLIM, model allowing the design of an evaluation tool of the greenhouse gases reduction policies. The model is described in a version coupled with the POLES, technical and economical model of the energy industry. Notations, equations, sources, processing and specifications are proposed and detailed. (A.L.B.)

  5. From Product Models to Product State Models

    DEFF Research Database (Denmark)

    Larsen, Michael Holm

    1999-01-01

    A well-known technology designed to handle product data is Product Models. Product Models are in their current form not able to handle all types of product state information. Hence, the concept of a Product State Model (PSM) is proposed. The PSM and in particular how to model a PSM is the Research...

  6. Modelling live forensic acquisition

    CSIR Research Space (South Africa)

    Grobler, MM

    2009-06-01

    Full Text Available This paper discusses the development of a South African model for Live Forensic Acquisition - Liforac. The Liforac model is a comprehensive model that presents a range of aspects related to Live Forensic Acquisition. The model provides forensic...

  7. Models in architectural design

    OpenAIRE

    Pauwels, Pieter

    2017-01-01

    Whereas architects and construction specialists used to rely mainly on sketches and physical models as representations of their own cognitive design models, they rely now more and more on computer models. Parametric models, generative models, as-built models, building information models (BIM), and so forth, they are used daily by any practitioner in architectural design and construction. Although processes of abstraction and the actual architectural model-based reasoning itself of course rema...

  8. Rotating universe models

    International Nuclear Information System (INIS)

    Tozini, A.V.

    1984-01-01

    A review is made of some properties of the rotating Universe models. Godel's model is identified as a generalized filted model. Some properties of new solutions of the Einstein's equations, which are rotating non-stationary Universe models, are presented and analyzed. These models have the Godel's model as a particular case. Non-stationary cosmological models are found which are a generalization of the Godel's metrics in an analogous way in which Friedmann is to the Einstein's model. (L.C.) [pt

  9. Concept Modeling vs. Data modeling in Practice

    DEFF Research Database (Denmark)

    Madsen, Bodil Nistrup; Erdman Thomsen, Hanne

    2015-01-01

    This chapter shows the usefulness of terminological concept modeling as a first step in data modeling. First, we introduce terminological concept modeling with terminological ontologies, i.e. concept systems enriched with characteristics modeled as feature specifications. This enables a formal...... account of the inheritance of characteristics and allows us to introduce a number of principles and constraints which render concept modeling more coherent than earlier approaches. Second, we explain how terminological ontologies can be used as the basis for developing conceptual and logical data models....... We also show how to map from the various elements in the terminological ontology to elements in the data models, and explain the differences between the models. Finally the usefulness of terminological ontologies as a prerequisite for IT development and data modeling is illustrated with examples from...

  10. Does Explosive Nuclear Burning Occur in Tidal Disruption Events of White Dwarfs by Intermediate-mass Black Holes?

    Energy Technology Data Exchange (ETDEWEB)

    Tanikawa, Ataru; Sato, Yushi; Hachisu, Izumi [Department of Earth Science and Astronomy, College of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902 (Japan); Nomoto, Ken’ichi; Maeda, Keiichi [Kavli Institute for the Physics and Mathematics of the Universe (WPI), The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8583 (Japan); Nakasato, Naohito, E-mail: tanikawa@ea.c.u-tokyo.ac.jp [Department of Computer Science and Engineering, University of Aizu, Tsuruga Ikki-machi Aizu-Wakamatsu, Fukushima 965-8580 (Japan)

    2017-04-20

    We investigate nucleosynthesis in tidal disruption events (TDEs) of white dwarfs (WDs) by intermediate-mass black holes. We consider various types of WDs with different masses and compositions by means of three-dimensional (3D) smoothed particle hydrodynamics (SPH) simulations. We model these WDs with different numbers of SPH particles, N , from a few 10{sup 4} to a few 10{sup 7} in order to check mass resolution convergence, where SPH simulations with N > 10{sup 7} (or a space resolution of several 10{sup 6} cm) have unprecedentedly high resolution in this kind of simulation. We find that nuclear reactions become less active with increasing N and that these nuclear reactions are excited by spurious heating due to low resolution. Moreover, we find no shock wave generation. In order to investigate the reason for the absence of a shock wave, we additionally perform one-dimensional (1D) SPH and mesh-based simulations with a space resolution ranging from 10{sup 4} to 10{sup 7} cm, using a characteristic flow structure extracted from the 3D SPH simulations. We find shock waves in these 1D high-resolution simulations, one of which triggers a detonation wave. However, we must be careful of the fact that, if the shock wave emerged in an outer region, it could not trigger the detonation wave due to low density. Note that the 1D initial conditions lack accuracy to precisely determine where a shock wave emerges. We need to perform 3D simulations with ≲10{sup 6} cm space resolution in order to conclude that WD TDEs become optical transients powered by radioactive nuclei.

  11. Model-to-model interface for multiscale materials modeling

    Energy Technology Data Exchange (ETDEWEB)

    Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)

    2017-12-17

    A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

  12. Cognitive models embedded in system simulation models

    International Nuclear Information System (INIS)

    Siegel, A.I.; Wolf, J.J.

    1982-01-01

    If we are to discuss and consider cognitive models, we must first come to grips with two questions: (1) What is cognition; (2) What is a model. Presumably, the answers to these questions can provide a basis for defining a cognitive model. Accordingly, this paper first places these two questions into perspective. Then, cognitive models are set within the context of computer simulation models and a number of computer simulations of cognitive processes are described. Finally, pervasive issues are discussed vis-a-vis cognitive modeling in the computer simulation context

  13. Gas flow and dark matter in the inner parts of early-type barred galaxies - I. SPH simulations and comparison with the observed kinematics

    NARCIS (Netherlands)

    Perez, [No Value; Fux, R; Freeman, K

    This paper presents the dynamical simulations run in the potential derived from the light distribution of 5 late-type barred spiral galaxies (IC 5186, NGC 5728, NGC 7267, NGC 7483 and NGC 5505). The aim is to determine whether the mass distribution together with the hydrodynamical simulations can

  14. Secrets for Survival: The Training Program for Teachers of the Severely/Profoundly Handicapped (S/PH). Description of Teacher Inservice Education Materials.

    Science.gov (United States)

    National Education Association, Washington, DC. Project on Utilization of Inservice Education R & D Outcomes.

    As a description of a "survival kit" for teachers confronted with the instruction of severely/profoundly handicapped children, complete information with regard to purposes of the kit, printed and audiovisual contents, scope and sequencing of topics for the six training modules, and activities and resources involved in the use of the kit is…

  15. Le rôle de la sphère publique en réseau pour ce qui est de favoriser ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Una Hakika : Porter à grande échelle les solutions numériques pour la gestion des conflits au Kenya et en Birmanie. L'information erronée, qu'elle soit le fruit de rumeurs ou d'une désinformation intentionnelle, peut alimenter le conflit et exercer de profondes répercussions sur la paix, la... Voir davantageUna Hakika : Porter ...

  16. Thiol ligand-induced transformation of Au38(SC2H4Ph)24 to Au36(SPh-t-Bu)24.

    Science.gov (United States)

    Zeng, Chenjie; Liu, Chunyan; Pei, Yong; Jin, Rongchao

    2013-07-23

    We report a disproportionation mechanism identified in the transformation of rod-like biicosahedral Au38(SCH2CH2Ph)24 to tetrahedral Au36(TBBT)24 nanoclusters. Time-dependent mass spectrometry and optical spectroscopy analyses unambiguously map out the detailed size-conversion pathway. The ligand exchange of Au38(SCH2CH2Ph)24 with bulkier 4-tert-butylbenzenethiol (TBBT) until a certain extent starts to trigger structural distortion of the initial biicosahedral Au38(SCH2CH2Ph)24 structure, leading to the release of two Au atoms and eventually the Au36(TBBT)24 nanocluster with a tetrahedral structure, in which process the number of ligands is interestingly preserved. The other product of the disproportionation process, i.e., Au40(TBBT)m+2(SCH2CH2Ph)24-m, was concurrently observed as an intermediate, which was the result of addition of two Au atoms and two TBBT ligands to Au38(TBBT)m(SCH2CH2Ph)24-m. The reaction kinetics on the Au38(SCH2CH2Ph)24 to Au36(TBBT)24 conversion process was also performed, and the activation energies of the structural distortion and disproportionation steps were estimated to be 76 and 94 kJ/mol, respectively. The optical absorption features of Au36(TBBT)24 are interpreted on the basis of density functional theory simulations.

  17. [Analysis of H2S/PH3/NH3/AsH3/Cl2 by Full-Spectral Flame Photometric Detector].

    Science.gov (United States)

    Ding, Zhi-jun; Wang, Pu-hong; Li, Zhi-jun; Du, Bin; Guo, Lei; Yu, Jian-hua

    2015-07-01

    Flame photometric analysis technology has been proven to be a rapid and sensitive method for sulfur and phosphorus detection. It has been widely used in environmental inspections, pesticide detection, industrial and agricultural production. By improving the design of the traditional flame photometric detector, using grating and CCD sensor array as a photoelectric conversion device, the types of compounds that can be detected were expanded. Instead of a single point of characteristic spectral lines, full spectral information has been used for qualitative and quantitative analysis of H2S, PH3, NH3, AsH3 and Cl2. Combined with chemometric method, flame photometric analysis technology is expected to become an alternative fast, real-time on-site detection technology to simultaneously detect multiple toxic and harmful gases.

  18. L’histoire au théâtre ou l’onde sphérique divergente dans l’œuvre de Jean-Luc Lagarce

    Directory of Open Access Journals (Sweden)

    Cristina Vinuesa Muñoz

    2012-01-01

    Full Text Available The aim is to propose a parallel between a geometric figure and the dramatic work of Jean-Luc Lagarce to elucidate the essence of his writing technique and understanding the proposed dramaturgical challenge. If the comparison between the divergent spherical wave and the author’s playwriting is compelling, it may perhaps serve as a method of textual analysis with yet a method with yet unknown playwrights and see if the circularity can be seen as a contemporary trend. We will observe how a central dramatic event will cause a series of growing dramatic earthquakes interrelated by a complex language and an inter-character specific space.

  19. Les américaines et la politisation de la sphère privée dans l'après seconde guerre mondiale

    OpenAIRE

    Kaczorowski , Florence

    2016-01-01

    This thesis examines various factors that have led to the reconfiguration of the private / domestic sphere, considered as the non-political domain of the family and the intimate, as a crucial subject for political debate and as a legitimate place of political action in the aftermath At the heart of the process were three major phenomena: the militarization of private civil space, the resurgence of the ideal of the "Christian home" in a moralist and familialist climate, and the valorization of...

  20. Die Verschränkung von Umwelt und Wohnwelt – Grüne smart homes aus der Perspektive der pluralen Sphärologie

    Directory of Open Access Journals (Sweden)

    A. Folkers

    2018-02-01

    Full Text Available This paper links two strands of Peter Sloterdijk's sphere project – his theory of the environment and his theory of dwelling – and mobilizes them for an analysis of entanglements between spaces of the environment and the space of the home in contemporary sustainability policies and smart home experiments. First, we retrace how Sloterdijk's topology of the environment combines a historical phenomenological methodology with ecological thinking. In the next step, we discuss Sloterdijk's theory of dwelling, which is closely linked to his thinking of the environment and is central to his conception of a plural spherology, yet has so far largely been overlooked in the reception. Sloterdijk's emphasis on the importance of dwelling in the world's inner space (Weltinnenraum under conditions of a no longer externalizable environment helps to theorize how humans dwell on this earth in the 21st century. In the third part of the paper, we bring together both themes – environment and dwelling – to analyze contemporary ecological and digital home experiments from the perspective of a plural spherology. By showing how recent digital experiments in smart homes entangle spaces of dwelling with environmental concerns we build on Sloterdijk's analysis but also extend it with insights from STS and governmentality studies to better capture the power effects inherent to digitalized dwelling.

  1. Model Manipulation for End-User Modelers

    DEFF Research Database (Denmark)

    Acretoaie, Vlad

    , and transformations using their modeling notation and editor of choice. The VM* languages are implemented via a single execution engine, the VM* Runtime, built on top of the Henshin graph-based transformation engine. This approach combines the benefits of flexibility, maturity, and formality. To simplify model editor......End-user modelers are domain experts who create and use models as part of their work. They are typically not Software Engineers, and have little or no programming and meta-modeling experience. However, using model manipulation languages developed in the context of Model-Driven Engineering often...... requires such experience. These languages are therefore only used by a small subset of the modelers that could, in theory, benefit from them. The goals of this thesis are to substantiate this observation, introduce the concepts and tools required to overcome it, and provide empirical evidence in support...

  2. Air Quality Dispersion Modeling - Alternative Models

    Science.gov (United States)

    Models, not listed in Appendix W, that can be used in regulatory applications with case-by-case justification to the Reviewing Authority as noted in Section 3.2, Use of Alternative Models, in Appendix W.

  3. Topological massive sigma models

    International Nuclear Information System (INIS)

    Lambert, N.D.

    1995-01-01

    In this paper we construct topological sigma models which include a potential and are related to twisted massive supersymmetric sigma models. Contrary to a previous construction these models have no central charge and do not require the manifold to admit a Killing vector. We use the topological massive sigma model constructed here to simplify the calculation of the observables. Lastly it is noted that this model can be viewed as interpolating between topological massless sigma models and topological Landau-Ginzburg models. ((orig.))

  4. Business Model Innovation

    OpenAIRE

    Dodgson, Mark; Gann, David; Phillips, Nelson; Massa, Lorenzo; Tucci, Christopher

    2014-01-01

    The chapter offers a broad review of the literature at the nexus between Business Models and innovation studies, and examines the notion of Business Model Innovation in three different situations: Business Model Design in newly formed organizations, Business Model Reconfiguration in incumbent firms, and Business Model Innovation in the broad context of sustainability. Tools and perspectives to make sense of Business Models and support managers and entrepreneurs in dealing with Business Model ...

  5. [Bone remodeling and modeling/mini-modeling.

    Science.gov (United States)

    Hasegawa, Tomoka; Amizuka, Norio

    Modeling, adapting structures to loading by changing bone size and shapes, often takes place in bone of the fetal and developmental stages, while bone remodeling-replacement of old bone into new bone-is predominant in the adult stage. Modeling can be divided into macro-modeling(macroscopic modeling)and mini-modeling(microscopic modeling). In the cellular process of mini-modeling, unlike bone remodeling, bone lining cells, i.e., resting flattened osteoblasts covering bone surfaces will become active form of osteoblasts, and then, deposit new bone onto the old bone without mediating osteoclastic bone resorption. Among the drugs for osteoporotic treatment, eldecalcitol(a vitamin D3 analog)and teriparatide(human PTH[1-34])could show mini-modeling based bone formation. Histologically, mature, active form of osteoblasts are localized on the new bone induced by mini-modeling, however, only a few cell layer of preosteoblasts are formed over the newly-formed bone, and accordingly, few osteoclasts are present in the region of mini-modeling. In this review, histological characteristics of bone remodeling and modeling including mini-modeling will be introduced.

  6. A Model of Trusted Measurement Model

    OpenAIRE

    Ma Zhili; Wang Zhihao; Dai Liang; Zhu Xiaoqin

    2017-01-01

    A model of Trusted Measurement supporting behavior measurement based on trusted connection architecture (TCA) with three entities and three levels is proposed, and a frame to illustrate the model is given. The model synthesizes three trusted measurement dimensions including trusted identity, trusted status and trusted behavior, satisfies the essential requirements of trusted measurement, and unified the TCA with three entities and three levels.

  7. Modelling binary data

    CERN Document Server

    Collett, David

    2002-01-01

    INTRODUCTION Some Examples The Scope of this Book Use of Statistical Software STATISTICAL INFERENCE FOR BINARY DATA The Binomial Distribution Inference about the Success Probability Comparison of Two Proportions Comparison of Two or More Proportions MODELS FOR BINARY AND BINOMIAL DATA Statistical Modelling Linear Models Methods of Estimation Fitting Linear Models to Binomial Data Models for Binomial Response Data The Linear Logistic Model Fitting the Linear Logistic Model to Binomial Data Goodness of Fit of a Linear Logistic Model Comparing Linear Logistic Models Linear Trend in Proportions Comparing Stimulus-Response Relationships Non-Convergence and Overfitting Some other Goodness of Fit Statistics Strategy for Model Selection Predicting a Binary Response Probability BIOASSAY AND SOME OTHER APPLICATIONS The Tolerance Distribution Estimating an Effective Dose Relative Potency Natural Response Non-Linear Logistic Regression Models Applications of the Complementary Log-Log Model MODEL CHECKING Definition of Re...

  8. Modelling freight transport

    NARCIS (Netherlands)

    Tavasszy, L.A.; Jong, G. de

    2014-01-01

    Freight Transport Modelling is a unique new reference book that provides insight into the state-of-the-art of freight modelling. Focusing on models used to support public transport policy analysis, Freight Transport Modelling systematically introduces the latest freight transport modelling

  9. Semantic Business Process Modeling

    OpenAIRE

    Markovic, Ivan

    2010-01-01

    This book presents a process-oriented business modeling framework based on semantic technologies. The framework consists of modeling languages, methods, and tools that allow for semantic modeling of business motivation, business policies and rules, and business processes. Quality of the proposed modeling framework is evaluated based on the modeling content of SAP Solution Composer and several real-world business scenarios.

  10. Modelling of Hydraulic Robot

    DEFF Research Database (Denmark)

    Madsen, Henrik; Zhou, Jianjun; Hansen, Lars Henrik

    1997-01-01

    This paper describes a case study of identifying the physical model (or the grey box model) of a hydraulic test robot. The obtained model is intended to provide a basis for model-based control of the robot. The physical model is formulated in continuous time and is derived by application...

  11. Model-Independent Diffs

    DEFF Research Database (Denmark)

    Könemann, Patrick

    just contain a list of strings, one for each line, whereas the structure of models is defined by their meta models. There are tools available which are able to compute the diff between two models, e.g. RSA or EMF Compare. However, their diff is not model-independent, i.e. it refers to the models...

  12. Forest-fire models

    Science.gov (United States)

    Haiganoush Preisler; Alan Ager

    2013-01-01

    For applied mathematicians forest fire models refer mainly to a non-linear dynamic system often used to simulate spread of fire. For forest managers forest fire models may pertain to any of the three phases of fire management: prefire planning (fire risk models), fire suppression (fire behavior models), and postfire evaluation (fire effects and economic models). In...

  13. Environmental Satellite Models for a Macroeconomic Model

    International Nuclear Information System (INIS)

    Moeller, F.; Grinderslev, D.; Werner, M.

    2003-01-01

    To support national environmental policy, it is desirable to forecast and analyse environmental indicators consistently with economic variables. However, environmental indicators are physical measures linked to physical activities that are not specified in economic models. One way to deal with this is to develop environmental satellite models linked to economic models. The system of models presented gives a frame of reference where emissions of greenhouse gases, acid gases, and leaching of nutrients to the aquatic environment are analysed in line with - and consistently with - macroeconomic variables. This paper gives an overview of the data and the satellite models. Finally, the results of applying the model system to calculate the impacts on emissions and the economy are reviewed in a few illustrative examples. The models have been developed for Denmark; however, most of the environmental data used are from the CORINAIR system implemented in numerous countries

  14. Short range structural models of the glass transition temperatures and densities of 0.5Na2S + 0.5[xGeS2 + (1 - x)PS5/2] mixed glass former glasses.

    Science.gov (United States)

    Bischoff, Christian; Schuller, Katherine; Martin, Steve W

    2014-04-03

    The 0.5Na2S + 0.5[xGeS2 + (1 - x)PS5/2] mixed glass former (MGF) glass system exhibits a nonlinear and nonadditive negative change in the Na(+) ion conductivity as one glass former, PS5/2, is exchanged for the other, GeS2. This behavior, known as the mixed glass former effect (MGFE), is also manifest in a negative deviation from the linear interpolation of the glass transition temperatures (T(g)) of the binary end-member glasses, x = 0 and x = 1. Interestingly, the composition dependence of the densities of these ternary MGF glasses reveals a slightly positive MGFE deviation from a linear interpolation of the densities of the binary end-member glasses, x = 0 and x = 1. From our previous studies of the structures of these glasses using IR, Raman, and NMR spectroscopies, we find that a disproportionation reaction occurs between PS7/2(4-) and GeS3(2-) units into PS4(3-) and GeS5/2(1-) units. This disproportionation combined with the formation of Ge4S10(4-) anions from GeS5/2(1-) groups leads to the negative MGFE in T(g). A best-fit model of the T(g)s of these glasses was developed to quantify the amount of GeS5/2(1-) units that form Ge4S10(4-) molecular anions in the ternary glasses (∼ 5-10%). This refined structural model was used to develop a short-range structural model of the molar volumes, which shows that the slight densification of the ternary glasses is due to the improved packing efficiency of the germanium sulfide species.

  15. Geologic Framework Model Analysis Model Report

    Energy Technology Data Exchange (ETDEWEB)

    R. Clayton

    2000-12-19

    The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M&O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and the

  16. Geologic Framework Model Analysis Model Report

    International Nuclear Information System (INIS)

    Clayton, R.

    2000-01-01

    The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M and O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and

  17. Lapse rate modeling

    DEFF Research Database (Denmark)

    De Giovanni, Domenico

    2010-01-01

    prepayment models for mortgage backed securities, this paper builds a Rational Expectation (RE) model describing the policyholders' behavior in lapsing the contract. A market model with stochastic interest rates is considered, and the pricing is carried out through numerical approximation...

  18. Lapse Rate Modeling

    DEFF Research Database (Denmark)

    De Giovanni, Domenico

    prepayment models for mortgage backed securities, this paper builds a Rational Expectation (RE) model describing the policyholders' behavior in lapsing the contract. A market model with stochastic interest rates is considered, and the pricing is carried out through numerical approximation...

  19. Multivariate GARCH models

    DEFF Research Database (Denmark)

    Silvennoinen, Annastiina; Teräsvirta, Timo

    This article contains a review of multivariate GARCH models. Most common GARCH models are presented and their properties considered. This also includes nonparametric and semiparametric models. Existing specification and misspecification tests are discussed. Finally, there is an empirical example...

  20. Collaborative networks: Reference modeling

    NARCIS (Netherlands)

    Camarinha-Matos, L.M.; Afsarmanesh, H.

    2008-01-01

    Collaborative Networks: Reference Modeling works to establish a theoretical foundation for Collaborative Networks. Particular emphasis is put on modeling multiple facets of collaborative networks and establishing a comprehensive modeling framework that captures and structures diverse perspectives of