Theoretical and numerical study of highly anisotropic turbulent flows
Biferale, L.; Daumont, I.; Lanotte, A.; Toschi, F.
2004-01-01
We present a detailed numerical study of anisotropic statistical fluctuations in stationary, homogeneous turbulent flows. We address both problems of intermittency in anisotropic sectors, and the relative importance of isotropic and anisotropic fluctuations at different scales on a direct numerical
Experimental, theoretical, and numerical studies of small scale combustion
Xu, Bo
Recently, the demand increased for the development of microdevices such as microsatellites, microaerial vehicles, micro reactors, and micro power generators. To meet those demands the biggest challenge is obtaining stable and complete combustion at relatively small scale. To gain a fundamental understanding of small scale combustion in this thesis, thermal and kinetic coupling between the gas phase and the structure at meso and micro scales were theoretically, experimentally, and numerically studied; new stabilization and instability phenomena were identified; and new theories for the dynamic mechanisms of small scale combustion were developed. The reduction of thermal inertia at small scale significantly reduces the response time of the wall and leads to a strong flame-wall coupling and extension of burning limits. Mesoscale flame propagation and extinction in small quartz tubes were theoretically, experimentally and numerically studied. It was found that wall-flame interaction in mesoscale combustion led to two different flame regimes, a heat-loss dominant fast flame regime and a wall-flame coupling slow flame regime. The nonlinear transition between the two flame regimes was strongly dependent on the channel width and flow velocity. It is concluded that the existence of multiple flame regimes is an inherent phenomenon in mesoscale combustion. In addition, all practical combustors have variable channel width in the direction of flame propagation. Quasi-steady and unsteady propagations of methane and propane-air premixed flames in a mesoscale divergent channel were investigated experimentally and theoretically. The emphasis was the impact of variable cross-section area and the flame-wall coupling on the flame transition between different regimes and the onset of flame instability. For the first time, spinning flames were experimentally observed for both lean and rich methane and propane-air mixtures in a broad range of equivalence ratios. An effective Lewis number
Theoretical and numerical study of heat transfer deterioration in HPLWR
International Nuclear Information System (INIS)
Palko, D.; Anglart, H.
2007-01-01
A numerical investigation of the Heat Transfer Deterioration (HTD) phenomena is performed using the low-Re k - ω turbulence model. Steady state Reynolds-averaged Navier-Stokes equations are solved together with equations for the transport of enthalpy and turbulence. Equations are solved for the supercritical water flow at different pressures, using water properties from the standard IAPWS tables. All cases are extensively validated against experimental data. The influence of buoyancy on the HTD is demonstrated for different mass flow rates in the heated pipes. Numerical results prove that the RANS low-Re turbulence modeling approach is fully capable to simulate the heat transfer in pipes with the water flow at supercritical pressures. A study of buoyancy influence shows that for the low mass flow rates of coolant, the influence of buoyancy forces on the heat transfer in heated pipes is significant. For the high flow rates, buoyancy influence could be neglected and there are clearly other mechanisms causing the decrease in heat transfer at high coolant flow rates. (author)
Theoretical and numerical study of an optimum design algorithm
International Nuclear Information System (INIS)
Destuynder, Philippe.
1976-08-01
This work can be separated into two main parts. First, the behavior of the solution of an elliptic variational equation is analyzed when the domain is submitted to a small perturbation. The case of inequations is also considered. Secondly the previous results are used for deriving an optimum design algorithm. This algorithm was suggested by the center-method proposed by Huard. Numerical results show the superiority of the method on other different optimization techniques [fr
Deng, Jian; Zhou, Guangming; Ji, Le; Wang, Xiaopei
2017-12-01
Mechanical properties and failure mechanisms of a newly designed 3D multi-layer braided composites are evaluated by experimental, numerical and theoretical studies. The microstructure of the composites is introduced. The unit cell technique is employed to address the periodic arrangement of the structure. The volume averaging method is used in theoretical solutions while FEM with reasonable periodic boundary conditions and meshing technique in numerical simulations. Experimental studies are also conducted to verify the feasibility of the proposed models. Predicted elastic properties agree well with the experimental data, indicating the feasibility of the proposed models. Numerical evaluation is more accurate than theoretical assessment. Deformations and stress distributions of the unit cell under tension shows displacement and traction continuity, guaranteeing the rationality of the applied periodic boundary conditions. Although compression and tension modulus are close, the compressive strength only reaches 70% of the tension strength. This indicates that the composites can be weakened in compressive loading. Additionally, by analysing the micrograph of fracture faces and strain-stress curves, a brittle failure mechanism is observed both in composites under tension and compression.
Theoretical and Numerical Study of Seismoelectric Logs for Logging While Drilling (LWD
Directory of Open Access Journals (Sweden)
Sun Xiang-Yang
2017-01-01
Full Text Available When the acoustic field propagates in the porous medium, the electromagnetic wave can be induced by the seismoelectric effects which can be used in the logging. This paper studies the seismoelectric wave field and deduces the formulations of the acoustic and electromagnetic field of the liquid in the well, and gives the acoustic and electromagnetic boundary conditions between the driller collar and the log liquid, when the driller collar is added. We also do the numerical simulation of the seismoelectric wave field excited by monopole source, study the velocity dispersion characteristics of the acoustic and electromagnetic field, and investigate the detective depth of the seismoelectric logs. Through the simulation we know the seismoelectric logs can avoid the interference of drill collar wave. This paper also provides theoretical guidance for the design of receiving antenna.
Theoretical and numerical study of thermo-hydro-mechanical damage in unsaturated porous media
International Nuclear Information System (INIS)
Arson, Ch.
2009-09-01
Nuclear waste disposals are designed in multi-phase porous media. A new damage model, formulated in independent state variables (net stress, suction and thermal stress), is proposed for such geo-materials. The damage variable is a second-order tensor, which principal values grow with tensile strains. The stress/strain relations are derived from a postulated expression of the free energy. The degraded rigidities are computed by applying the Principle of Equivalent Elastic Energy for each stress state variable. Cracking effects are taken into account in transfers by introducing internal length parameters in the expressions of moisture conductivities. The damage model has been implemented in Θ-Stock Finite Element code. The mechanical model has been validated by comparing numerical results to experimental data and theoretical predictions. The qualitative evolutions given by the model in the parametric studies performed on realistic complex configurations show good trends. (author)
Majee, Partha Sarathi; Bhattacharyya, Somnath; Gopmandal, Partha Pratim; Ohshima, Hiroyuki
2018-03-01
A theoretical study on the gel electrophoresis of a charged particle incorporating the effects of dielectric polarization and surface hydrophobicity at the particle-liquid interface is made. A simplified model based on the weak applied field and low charge density assumption is also presented and compared with the full numerical model for a nonpolarizable particle to elucidate the nonlinear effects such as double layer polarization and relaxation as well as surface conduction. The main motivation of this study is to analyze the electrophoresis of the surface functionalized nanoparticle with tunable hydrophobicity or charged fluid drop in gel medium by considering the electrokinetic effects and hydrodynamic interactions between the particle and the gel medium. An effective medium approach, in which the transport in the electrolyte-saturated hydrogel medium is governed by the Brinkman equation, is adopted in the present analysis. The governing electrokinetic equations based on the conservation principles are solved numerically. The Navier-slip boundary condition along with the continuity condition of dielectric displacement are imposed on the surface of the hydrophobic polarizable particle. The impact of the slip length on the electrophoresis is profound for a thinner Debye layer, however, surface conduction effect also becomes significant for a hydrophobic particle. Impact of hydrophobicity and relaxation effects are higher for a larger particle. Dielectric polarization creates a reduction in its electrophoretic propulsion and has negligible impact at the thinner Debye length as well as lower gel screening length. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Mehrling, Timon Johannes
2014-11-01
This work examines effects, which impact the transverse quality of electron-beams in plasma-based accelerators, by means of theoretical and numerical methods. Plasma-based acceleration is a promising candidate for future particle accelerator technologies. In plasma-based acceleration, highly intense laser beams or high-current relativistic particle beams are focused into a plasma to excite plasma-waves with extreme transverse and longitudinal electric fields. The amplitude of these fields exceed with 10-100 GV/m the ones in today's radio-frequency accelerators by several orders of magnitude, hence, in principle allowing for accordingly shorter and cheaper accelerators based on plasma. Despite the tremendous progress in the recent decade, beams from plasma accelerators are not yet achieving the quality as demanded for pivotal applications of relativistic electron-beams, e.g. free-electron lasers (FELs).Studies within this work examine how the quality can be optimized in the production of the beams and preserved during the acceleration and transport to the interaction region. Such studies cannot be approached purely analytical but necessitate numerical methods, such as the Particle-In-Cell (PIC) method, which can model kinetic, electrodynamic and relativistic plasma phenomena. However, this method is computationally too expensive for parameter-scans in three-dimensional geometries. Hence, a quasi-static PIC code was developed in connection with this work, which is significantly more effective than the full PIC method for a class of problems in plasma-based acceleration.The evolution of the emittance of beams which are injected into plasma modules was studied in this work by means of theoretical and the above numerical methods. It was shown that the beam parameters need to be matched accurately into the focusing plasma-channel in order to allow for beam-quality preservation. This suggested that new extraction and injection-techniques are required in staged plasma
Directory of Open Access Journals (Sweden)
Djamel Kalache
2011-01-01
Full Text Available A theoretical and numerical study of the effect of thermodiffusion on the stability of a gradient layer is presented. It intends to clarify the mechanisms of fluid dynamics and the processes which occur in a salinity gradient solar pond. A mathematical modelling is developed to describe the thermodiffusion contribution on the solar pond where thermal, radiative, and massive fluxes are coupled in the double diffusion. More realistic boundary conditions for temperature and concentration profiles are used. Our results are compared with those obtained experimentally by authors without extracting the heat flux from the storage zone. We have considered the stability analysis of the equilibrium solution. We assumed that the perturbation of quantities such as velocity, temperature, and concentration are infinitesimal. Linearized equations satisfying appropriate prescribed boundary conditions are then obtained and expanded into polynomials form. The Galerkin method along with a symbolic algebra code (Maple are used to solve these equations. The effect of the separation coefficient y is analyzed in the positive and negative case. We have also numerically compared the critical Rayleigh numbers for the onset of convection with those obtained by the linear stability analysis for Le = 100, µa = 0.8, and f = 0.5.
Theoretical and numerical study of the equations of Vlasov-Maxwell in the covariant formalism
International Nuclear Information System (INIS)
Back, A.
2011-11-01
A new point of view is proposed for the simulation of plasmas using the kinetic model which links the equations of Vlasov for the distribution of particles and the equations of Maxwell for the electromagnetic contribution of fields. We use the following principle: the equations of Physics are mathematical objects which put in relation geometrical objects. To preserve the geometrical properties of the various objects in an equation, we use, for the theoretical and numerical study, the differential geometry. All the equations of Physics can be written with differential forms and this point of view is not dependent on the choice of coordinates. We propose then a discretization of the differential forms by using B-Splines. To be coherent with the theory, we also propose a discretization of the various operations of the differential geometry. We test our scheme, first on the equations of Maxwell with several boundary conditions and since it does not depend on the system of coordinates, we also test it when we change coordinates. Finally, we apply the same method to the equations of Vlasov-Poisson in one-dimension and we propose several numerical schemes. (author)
Theoretical and numerical studies of TWR based on ESFR core design
International Nuclear Information System (INIS)
Zhang, Dalin; Chen, Xue-Nong; Flad, Michael; Rineiski, Andrei; Maschek, Werner
2013-01-01
Highlights: • The traveling wave reactor (TWR) is studied based on the core design of the European Sodium-cooled Fast Reactor (ESFR). • The conventional fuel shuffling technique is used to produce a continuous radial fuel movement. • A stationary self sustainable nuclear fission power can be established asymptotically by only loading natural or depleted uranium. • The multi-group deterministic neutronic code ERANOS is applied. - Abstract: This paper deals with the so-called traveling wave reactor (TWR) based on the core design of the European Sodium-cooled Fast Reactor (ESFR). The current concept of TWR is to use the conventional radial fuel shuffling technique to produce a continuous radial fuel movement so that a stationary self sustainable nuclear fission power can be established asymptotically by only loading fertile material consisting of natural or depleted uranium. The core design of ESFR loaded with metallic uranium fuel without considering the control mechanism is used as a practical application example. The theoretical studies focus mainly on qualitative feasibility analyses, i.e. to identify out in general essential parameter dependences of such a kind of reactor. The numerical studies are carried out more specifically on a certain core design. The multi-group deterministic neutronic code ERANOS with the JEFF3.1 data library is applied as a basic tool to perform the neutronics and burn-up calculations. The calculations are performed in a 2-D R-Z geometry, which is sufficient for the current core layout. Numerical results of radial fuel shuffling indicate that the asymptotic k eff parabolically varies with the shuffling period, while the burn-up increases linearly. Typical shuffling periods investigated in this study are in the range of 300–1000 days. The important parameters, e.g. k eff , the burn-up, the power peaking factor, and safety coefficients are calculated
Contribution to the theoretical and numerical study of inertial confinement fusion
International Nuclear Information System (INIS)
Tran Trach-Minh
1983-01-01
After an overview of problems faced for numerical simulations of inertial fusion, this research thesis reports the study of the behaviour of suprathermal ions by using the transport equation as model. The problem is then to find an appropriate numerical method to solve this equation, inspired by well known methods related to the transport of neutral particles (photons and neutrons) which however cannot be directly applied. The calculation scheme is introduced in an existing hydrodynamic code. Models are then proposed to take the partial ionisation of some materials into account in the target thermodynamics and in the slowing down of fast ions. In the next part, the author discusses the ion transport equation, and the calculation of the different coefficients which characterise their interaction with particles of the host medium. Problems faced for numerical processing are addressed. The coupling of ion transport calculation model with a hydrodynamic code is described. Effects of alphas transport during target ignition are analysed, as well as the penetration of external ion beams during the compression phase
Directory of Open Access Journals (Sweden)
David Palko
2008-01-01
Full Text Available A numerical investigation of the heat transfer deterioration (HTD phenomena is performed using the low-Re k-ω turbulence model. Steady-state Reynolds-averaged Navier-Stokes equations are solved together with equations for the transport of enthalpy and turbulence. Equations are solved for the supercritical water flow at different pressures, using water properties from the standard IAPWS (International Association for the Properties of Water and Steam tables. All cases are extensively validated against experimental data. The influence of buoyancy on the HTD is demonstrated for different mass flow rates in the heated pipes. Numerical results prove that the RANS low-Re turbulence modeling approach is fully capable of simulating the heat transfer in pipes with the water flow at supercritical pressures. A study of buoyancy influence shows that for the low-mass flow rates of coolant, the influence of buoyancy forces on the heat transfer in heated pipes is significant. For the high flow rates, buoyancy influence could be neglected and there are clearly other mechanisms causing the decrease in heat transfer at high coolant flow rates.
International Nuclear Information System (INIS)
Busschaert, Clotilde
2013-01-01
Magnetic cataclysmic variables are interacting binary Systems containing a highly magnetized white dwarf which accretes material from a companion. Material is led along magnetic field lines and falls onto the magnetic pole(s) supersonically forming an accretion column. As the material hits the surface, a reverse shock is formed and the shocked region is structured by the cooling effect of radiation processes. This work is a multidisciplinary study of the dynamics of the accretion column. Firstly, a numerical study of the accretion column structure at the astrophysical scale is presented. The observational consequences are discussed. This approach is completed by experiments using radiative flows generated by powerful lasers. The relevance of such experiments is based on the establishment of scaling laws. News scaling laws in the frame of radiative ideal or resistive MHD are exposed. The results of the sizing and the interpretation of the POLAR experimental campaign of 2012 on LULI2000 installation are presented. (author) [fr
Theoretical and numerical studies of transonic flow of moist air around a thin airfoil
Energy Technology Data Exchange (ETDEWEB)
Lee, Jang-Chang [School of Mechanical Engineering, Andong National University, Kyongbuk (Korea); Rusak, Zvi [Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY (United States)
2002-07-01
Numerical studies of a two-dimensional and steady transonic flow of moist air around a thin airfoil with condensation are presented. The computations are guided by a recent transonic small-disturbance (TSD) theory of Rusak and Lee (2000) on this topic. The asymptotic model provides a simplified framework to investigate the changes in the flow field caused by the heat addition from a nonequilibrium process of condensation of water vapor in the air by homogeneous nucleation. An iterative method which is based on a type-sensitive difference scheme is applied to solve the governing equations. The results demonstrate the similarity rules for transonic flow of moist air and the effects of energy supply by condensation on the flow behavior. They provide a method to formulate various cases with different flow properties that have a sufficiently close behavior and that can be used in future computations, experiments, and design of flow systems operating with moist air. Also, the computations show that the TSD solutions of moist air flows represent the essence of the flow character computed from the inviscid fluid flow equations. (orig.)
Theoretical and numerical study of Rayleigh-Taylor instabilities in magnetized plasmas
International Nuclear Information System (INIS)
Andrei, A. Ivanov
2001-06-01
In this thesis we're studying both the general case of the 'classic' Rayleigh-Taylor instability (in incompressible fluids) and more specific cases of the instabilities of Rayleigh-Taylor type in magnetized plasmas, in the liners or wire array implosions etc. We have studied the influence of the Hall diffusion of magnetic field on the growth rate of the instability. We have obtained in this work a self-similar solution for the widening of the initial profile of the magnetic field and for the wave of the penetration of magnetic field. After that the subsequent evolution of the magnetic field in plasma opening switches (POS) has been examined. We have shown the possibility of the existence of a strong rarefaction wave for collisional and non-collisional cases. This wave can explain the phenomenon of the opening of POS. The effect of the suppression of Rayleigh-Taylor instability by forced oscillations of the boundary between two fluids permits us to propose some ideas for the experiments of inertial fusion. We have considered the general case of the instability, in other words - two incompressible viscous superposed fluids in a gravitational field. We have obtained an exact analytical expression for the growth rate and then we have analyzed the influence of the parameters of external 'pumping' on the instability. These results can be applied to a wide range of systems, starting from classic hydrodynamics and up to astrophysical plasmas. The scheme of wire arrays has become recently a very popular method to obtain a high power X-radiation or for a high quality implosion in Z-pinches. The experimental studies have demonstrated that the results of implosion are much better for the case of multiple thin wires situated cylindrically than in a usual liner scheme. We have examined the problem modeling the stabilization of Rayleigh-Taylor instability for a wire array system. The reason for instability suppression is the regular spatial modulation of the surface plasma
Theoretical and numerical studies of Rayleigh-Taylor instabilities in magnetized plasmas
International Nuclear Information System (INIS)
Ivanov, A.A.
2001-06-01
The instabilities of Rayleigh-Taylor type are considered in the thesis. The topic of the thesis was inspired by recent advances in the physics of plasma compression, especially with the aid of systems like Z-pinch. Rayleigh-Taylor instability (RTI) plays an important role in the evolution of magnetized plasmas in these experiments, as well as in stellar plasmas and classic fluids. For the phenomena concerning the nuclear fusion the RTI is very often the factor limiting the possibility of compression. In the current work we try to examine in detail the characteristic features of the instabilities of this type in order to eliminate their detrimental influence. In this thesis we are studying both the general case of the 'classic' Rayleigh-Taylor instability (in incompressible fluids) and more specific cases of the instabilities of Rayleigh-Taylor type in magnetized plasmas, in the liners or wire array implosions etc. We have studied the influence of the Hall diffusion of magnetic field on the growth rate of the instability. We have obtained in this work a self-similar solution for the widening of the initial profile of the magnetic field and for the wave of the penetration of magnetic field. After that the subsequent evolution of the magnetic field in plasma opening switches (POS) has been examined. We have shown the possibility of the existence of a strong rarefaction wave for collisional and non-collisional cases. This wave can explain the phenomenon of the opening of POS. The effect of the suppression of Rayleigh-Taylor instability by forced oscillations of the boundary between two fluids permits us to propose some ideas for the experiments of inertial fusion. We have considered the general case of the instability, in other words, two incompressible viscous superposed fluids in a gravitational field. We have obtained an exact analytical expression for the growth rate and then we have analyzed the influence of the parameters of external 'pumping' on the instability
Yueh, S. H.; Kwok, R.
1993-01-01
In this paper, theoretical and numerical results of the polarimetric scattering and emission from random rough surfaces with anisotropic directional spectrum are presented for the remote sensing of ocean and soil surfaces. The polarimetric scattered field for rough dielectric surfaces is derived to the second order by the small perturbation method (SPM). It is found that the second-order scattered field is coherent in nature, and its coefficients for different polarizations present the lowest-order corrections to the Fresnel reflection coefficients of the surfaces. In addition, the cross-polarized (HV and VH) components of the coherent fields are reciprocal and not zero for surfaces with anisotropic directional spectrum when the azimuth angle of the incident direction is not aligned with the symmetry directions of surfaces. In order to verify the energy conservation condition of the theoretical results, which is important if the theory is to be applied to the passive polarimetry of rough surfaces, a Monte Carlo simulation is performed to numerically calculate the polarimetric reflectivities of one-dimensional random rough surfaces which are generated with a prescribed power-law spectrum in the spectral domain and transformed to the spatial domain by the FFT. The surfaces simulated by this approach are periodic with the period corresponding to the low-wavenumber cutoff. To calculate the scattering from periodic dielectric surfaces, the authors present a new numerical technique which applies the Floquet theorem to reduce the problem to one period and does not require the evaluation of one-dimensional periodic Green's function used in the conventional method of moment formulation. Once the scattering coefficients are obtained, the polarimetric Stokes vectors for the emission from the random surfaces are then calculated according to the Kirchhoff's law and are illustrated as functions of relative azimuth observation and row directions. The second-order SPM is also
Advanced Numerical and Theoretical Methods for Photonic Crystals and Metamaterials
Felbacq, Didier
2016-11-01
This book provides a set of theoretical and numerical tools useful for the study of wave propagation in metamaterials and photonic crystals. While concentrating on electromagnetic waves, most of the material can be used for acoustic (or quantum) waves. For each presented numerical method, numerical code written in MATLAB® is presented. The codes are limited to 2D problems and can be easily translated in Python or Scilab, and used directly with Octave as well.
Directory of Open Access Journals (Sweden)
Jose Adilson de Castro
2017-07-01
Full Text Available We present a numerical simulation procedure for analyzing hydrogen, oxygen and carbon dioxide gases injections mixed with pulverized coals within the tuyeres of blast furnaces. Effective use of H2 rich gas is highly attractive into the steelmaking blast furnace, considering the possibility of increasing the productivity and decreasing the specific emissions of carbon dioxide becoming the process less intensive in carbon utilization. However, the mixed gas and coal injection is a complex technology since significant changes on the inner temperature and gas flow patterns are expected, beyond to their effects on the chemical reactions and heat exchanges. Focusing on the evaluation of inner furnace status under such complex operation a comprehensive mathematical model has been developed using the multi interaction multiple phase theory. The BF, considered as a multiphase reactor, treats the lump solids (sinter, small coke, pellets, granular coke and iron ores, gas, liquids metal and slag and pulverized coal phases. The governing conservation equations are formulated for momentum, mass, chemical species and energy and simultaneously discretized using the numerical method of finite volumes. We verified the model with a reference operational condition using pulverized coal of 215 kg per ton of hot metal (kg thm−1. Thus, combined injections of varying concentrations of gaseous fuels with H2, O2 and CO2 are simulated with 220 kg thm−1 and 250 kg thm−1 coals injection. Theoretical analysis showed that stable operations conditions could be achieved with productivity increase of 60%. Finally, we demonstrated that the net carbon utilization per ton of hot metal decreased 12%.
Energy Technology Data Exchange (ETDEWEB)
Hassam, Adil [Univ. of Maryland, College Park, MD (United States)
2015-09-21
We studied the feasibility of resonantly driving GAMs in tokamaks. A numerical simulation was carried out and showed the essential features and limitations. It was shown further that GAMs can damp by phase-mixing, from temperature gradients, or nonlinear detuning, thus broadening the resonance. Experimental implications of this were quantified. Theoretical support was provided for the Maryland Centrifugal Experiment, funded in a separate grant by DOE. Plasma diamagnetism from supersonic rotation was established. A theoretical model was built to match the data. Additional support to the experiment in terms of numerical simulation of the interchange turbulence was provided. Spectra from residual turbulence on account of velocity shear suppression were obtained and compared favorably to experiment. A new drift wave, driven solely by the thermal force, was identified.
Theoretical numerical analysis a functional analysis framework
Atkinson, Kendall
2005-01-01
This textbook prepares graduate students for research in numerical analysis/computational mathematics by giving to them a mathematical framework embedded in functional analysis and focused on numerical analysis. This helps the student to move rapidly into a research program. The text covers basic results of functional analysis, approximation theory, Fourier analysis and wavelets, iteration methods for nonlinear equations, finite difference methods, Sobolev spaces and weak formulations of boundary value problems, finite element methods, elliptic variational inequalities and their numerical solu
Quantum dynamic imaging theoretical and numerical methods
Ivanov, Misha
2011-01-01
Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differ...
Theoretical and numerical method in aeroacoustics
Directory of Open Access Journals (Sweden)
Nicuşor ALEXANDRESCU
2010-06-01
Full Text Available The paper deals with the mathematical and numerical modeling of the aerodynamic noisegenerated by the fluid flow interaction with the solid structure of a rotor blade.Our analysis use Lighthill’s acoustic analogy. Lighthill idea was to express the fundamental equationsof motion into a wave equation for acoustic fluctuation with a source term on the right-hand side. Theobtained wave equation is solved numerically by the spatial discretization. The method is applied inthe case of monopole source placed in different points of blade surfaces to find this effect of noisepropagation.
Energy Technology Data Exchange (ETDEWEB)
Rajagopal, K.R.
1995-12-31
The mechanics of the flowing granular materials such as coal, agricultural products, at deal of attention as it has fertilizers, dry chemicals, metal ores, etc. have received a great deal of attention as it has relevance to several important technological problems. Despite wide interest and more than five decades of experimental and theoretical investigations, most aspects of the behavior of flowing granular materials are still not well understood. So Experiments have to be devised which quantify and describe the non-linear behavior of the modular materials, and theories developed which can explain the experimentally observed facts. As many models have been suggested for describing the behavior of granular materials, from both continuum and kinetic theory viewpoints, we proposed to investigate the validity and usefulness of representative models from both the continuum and kinetic theory points of view, by determining the prediction of such a theory, in a representative flow, with respect to existence, non-existence, multiplicity and stability of solutions. The continuum model to be investigated is an outgrowth of a model due to Goodman and Cowin (1971, 1972) and the kinetic theory models being those due to Jenkins and Richman (1985) and Boyle and Massoudi (1989). In this report we present detailed results regarding the same. Interestingly, we find that the predictions of all the theories, in certain parameter space associated with these models, are qualitatively similar. This ofcourse depends on the values assumed for various material parameters in the models, which as yet are unknown, as reliable experiments have not been carried out as yet for their determination.
A theoretical introduction to numerical analysis
Ryaben'kii, Victor S
2006-01-01
PREFACE ACKNOWLEDGMENTS INTRODUCTION Discretization Conditioning Error On Methods of Computation INTERPOLATION OF FUNCTIONS. QUADRATURES ALGEBRAIC INTERPOLATION Existence and Uniqueness of Interpolating Polynomial Classical Piecewise Polynomial Interpolation Smooth Piecewise Polynomial Interpolation (Splines) Interpolation of Functions of Two Variables TRIGONOMETRIC INTERPOLATION Interpolation of Periodic Functions Interpolation of Functions on an Interval. Relation between Algebraic and Trigonometric Interpolation COMPUTATION OF DEFINITE INTEGRALS. QUADRATURES Trapezoidal Rule, Simpson's Formula, and the Like Quadrature Formulae with No Saturation. Gaussian Quadratures Improper Integrals. Combination of Numerical and Analytical Methods Multiple Integrals SYSTEMS OF SCALAR EQUATIONS SYSTEMS OF LINEAR ALGEBRAIC EQUATIONS: DIRECT METHODS Different Forms of Consistent Linear Systems Linear Spaces, Norms, and Operators Conditioning of Linear Systems Gaussian Elimination and Its Tri-Diag...
International Nuclear Information System (INIS)
Han, Moon Hee
1995-02-01
An approximate method for estimating gamma external dose due to an arbitrary distribution of radioactive material has been developed. For the assessment of external gamma dose, the space over which radioactive material is distributed has been assumed to be composed of hexagonal cells. The evaluation of three-dimensional integration over the space is an extremely time-consuming task. Hence, a different approach has been used for the study, i.e., a equivalent-volume spherical approach in which a regular hexahedron is modeled as a equivalent-volume sphere to simplify the integration. For the justification of the current approach, two case studies have been performed: a comparison with a point source approximation and a comparison of external dose rate with the Monte Carlo integration. These comparisons show that the current approach gives reasonable results in a physical sense. Computing times of the developed and Monte Carlo integration method on VAX system have been compared as a function of the number of hexagonal cells. This comparison shows that CPU times for both methods are comparable in the region of small number of cells, but in the region of large number, Monte Carlo integration needs much more computing times. The proposed method is shown to have an accuracy equivalent to Monte Carlo method with an advantage of much shorter calculation time. Then, the method developed here evaluates early off-site consequences of a nuclear accident. An accident consequence assessment model has been integrated using Gaussian puff model which is used to obtain the distribution of radioactive material in the air and on the ground. For this work, the real meteorological data measured at Kori site for 10 years (1976 - 1985) have been statistically analyzed for obtaining site-specific conditions. The short-term external gamma exposures have been assessed for several site-specific meteorological conditions. The results show that the extent and the pattern of short-term external
Energy Technology Data Exchange (ETDEWEB)
Rajagopal, K.R.
1995-09-01
The mechanics of the flowing granular materials such as coal, agricultural products, fertilizers, dry chemicals, metal ores, etc. have received a great deal of attention as it has relevance to several important technological problems. Despite wide interest and more than five decades of experimental and theoretical investigations, most aspects of the behavior of flowing granular materials are still not well understood. So Experiments have to be devised which quantify and describe the non-linear behavior of the granular materials, and theories developed which can explain the experimentally observed facts. Here we carry out a systematic numerical study of the flow of granular materials down an inclined plane using the models that stem from both the continuum theory approach and the kinetic theory approach. We also look at the existence of solutions, multiplicity and stability of solutions to the governing equations.
Directory of Open Access Journals (Sweden)
Yongshui Kang
2014-10-01
Full Text Available Water-bearing rocks exposed to freezing temperature can be subjected to freeze–thaw cycles leading to crack initiation and propagation, which are the main causes of frost damage to rocks. Based on the Griffith theory of brittle fracture mechanics, the crack initiation criterion, propagation direction, and crack length under freezing pressure and far-field stress are analyzed. Furthermore, a calculation method is proposed for the stress intensity factor (SIF of the crack tip under non-uniformly distributed freezing pressure. The formulae for the crack/fracture propagation direction and length of the wing crack under freezing pressure are obtained, and the mechanism for coalescence of adjacent cracks is investigated. In addition, the necessary conditions for different coalescence modes of cracks are studied. Using the topology theory, a new algorithm for frost crack propagation is proposed, which has the capability to define the crack growth path and identify and update the cracked elements. A model that incorporates multiple cracks is built by ANSYS and then imported into FLAC3D. The SIFs are then calculated using a FISH procedure, and the growth path of the freezing cracks after several calculation steps is demonstrated using the new algorithm. The proposed method can be applied to rocks containing fillings such as detritus and slurry.
Hartree-Fock-Bogoliubov model: a theoretical and numerical perspective
International Nuclear Information System (INIS)
Paul, S.
2012-01-01
This work is devoted to the theoretical and numerical study of Hartree-Fock-Bogoliubov (HFB) theory for attractive quantum systems, which is one of the main methods in nuclear physics. We first present the model and its main properties, and then explain how to get numerical solutions. We prove some convergence results, in particular for the simple fixed point algorithm (sometimes called Roothaan). We show that it converges, or oscillates between two states, none of them being a solution. This generalizes to the HFB case previous results of Cances and Le Bris for the simpler Hartree-Fock model in the repulsive case. Following these authors, we also propose a relaxed constraint algorithm for which convergence is guaranteed. In the last part of the thesis, we illustrate the behavior of these algorithms by some numerical experiments. We first consider a system where the particles only interact through the Newton potential. Our numerical results show that the pairing matrix never vanishes, a fact that has not yet been proved rigorously. We then study a very simplified model for protons and neutrons in a nucleus. (author)
THEORETICAL AND NUMERICAL VALUATION OF CALLABLE BONDS
Dejun Xie
2009-01-01
This paper studies the value of a callable bond and the bond issuerâ€™s optimal financial decision regarding whether to continue the investment on the market or call the bond. Assume the market investment return follows a stochastic model, the value of contract is formulated as a partial differential equation system embedded with a free boundary, defining the level of market return rate at which it is optimal for the issuer to call the bond. A fundamental solution of the partial differential ...
Ida, Masato; Taniguchi, Nobuyuki
2003-09-01
This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.
Shibuya, Masato; Takada, Akira; Nakashima, Toshiharu
2016-04-01
In optical lithography, high-performance exposure tools are indispensable to obtain not only fine patterns but also preciseness in pattern width. Since an accurate theoretical method is necessary to predict these values, some pioneer and valuable studies have been proposed. However, there might be some ambiguity or lack of consensus regarding the treatment of diffraction by object, incoming inclination factor onto image plane in scalar imaging theory, and paradoxical phenomenon of the inclined entrance plane wave onto image in vector imaging theory. We have reconsidered imaging theory in detail and also phenomenologically resolved the paradox. By comparing theoretical aerial image intensity with experimental pattern width for one-dimensional pattern, we have validated our theoretical consideration.
Numerical and theoretical investigations of resistive drift wave turbulence
International Nuclear Information System (INIS)
Sunn Pedersen, T.
1995-07-01
With regard to the development of thermonuclear fusion utilizing a plasma confined in a magnetic field, anomalous transport is a major problem and is considered to be caused by electrostatic drift wave turbulence. A simplified quasi-two-dimensional slab model of resistive drift wave turbulence is investigated numerically and theoretically. The model (Hasegawa and Wakatani), consists of two nonlinear partial differential equations for the density perturbation n and the electrostatic potential perturbation φ. It includes the effect of a background density gradient perpendicular to the magnetic field and a generalized Ohm's law for the electrons in the direction parallel to the magnetic field. It may be used to model the basic features of electrostatic turbulence and the associated transport in an edge plasma. Model equations are derived and some important properties of the system are discussed. It is described how the Fourier spectral method is applied to the Hasegawa-Wakatani equations, how the time integration is developed to ensure accurate and fast simulations in a large parameter regime, and how the accuracy of the code is checked. Numerical diagnostics are developed to verify and extend the results in publications concerning quasi-stationary turbulent states and to give an overview of the properties of the quasi-stationary turbulent state. The use of analysis tools, not previously applied to the Hasegawa-Wakatani system, and the results obtained are described. Fluid particles are tracked to obtain Lagrangian statistics for the turbulence. A new theoretical analysis of relative dispersion leads to a decomposition criterion for the particles. The significance of this is investigated numerically and characteristic time scales for particles are determined for a range of parameter values. It is indicated that the turbulent state can be characterized in the context of nonlinear dynamics and chaos theory as an attractor with a large basin of attraction. The basic
Energy Technology Data Exchange (ETDEWEB)
Lardjane, N.
2002-05-15
The subject of this work concerns the application of large-eddy simulation to the mixing of two fluids with different thermodynamical properties. Numerical errors in the discretization of Navier-Stokes equations and their interaction with sub-grid models are investigated on a self decaying isotropic homogeneous turbulence. A high resolution numerical code is then developed for the simulation of binary mixing layers. Reduction of early acoustic waves amplitude is achieved by use of a temporal self-similar initial condition. The relative magnitude of sub-grid terms arising from filtered equations is investigated on explicit filtering of direct numerical simulation results of temporal N{sub 2}/O{sub 2} and H{sub 2}/O{sub 2} mixing layers. Implicit closure (MILES) is then evoked on the basis of WENO schemes. (author)
Oh, Sehyeong; Lee, Boogeon; Park, Hyungmin; Choi, Haecheon
2017-11-01
We investigate a hovering rhinoceros beetle using numerical simulation and blade element theory. Numerical simulations are performed using an immersed boundary method. In the simulation, the hindwings are modeled as a rigid flat plate, and three-dimensionally scanned elytra and body are used. The results of simulation indicate that the lift force generated by the hindwings alone is sufficient to support the weight, and the elytra generate negligible lift force. Considering the hindwings only, we present a blade element model based on quasi-steady assumptions to identify the mechanisms of aerodynamic force generation and power expenditure in the hovering flight of a rhinoceros beetle. We show that the results from the present blade element model are in excellent agreement with numerical ones. Based on the current blade element model, we find the optimal wing kinematics minimizing the aerodynamic power requirement using a hybrid optimization algorithm combining a clustering genetic algorithm with a gradient-based optimizer. We show that the optimal wing kinematics reduce the aerodynamic power consumption, generating enough lift force to support the weight. This research was supported by a Grant to Bio-Mimetic Robot Research Center Funded by Defense Acquisition Program Administration, and by Agency for Defense Development (UD130070ID) and NRF-2016R1E1A1A02921549 of the MSIP of Korea.
International Nuclear Information System (INIS)
Olofsson, Isabelle; Fredriksson, Anders
2005-05-01
The Swedish Nuclear and Fuel Management Company (SKB) is conducting Preliminary Site Investigations at two different locations in Sweden in order to study the possibility of a Deep Repository for spent fuel. In the frame of these Site Investigations, Site Descriptive Models are achieved. These products are the result of an interaction of several disciplines such as geology, hydrogeology, and meteorology. The Rock Mechanics Site Descriptive Model constitutes one of these models. Before the start of the Site Investigations a numerical method using Discrete Fracture Network (DFN) models and the 2D numerical software UDEC was developed. Numerical simulations were the tool chosen for applying the theoretical approach for characterising the mechanical rock mass properties. Some shortcomings were identified when developing the methodology. Their impacts on the modelling (in term of time and quality assurance of results) were estimated to be so important that the improvement of the methodology with another numerical tool was investigated. The theoretical approach is still based on DFN models but the numerical software used is 3DEC. The main assets of the programme compared to UDEC are an optimised algorithm for the generation of fractures in the model and for the assignment of mechanical fracture properties. Due to some numerical constraints the test conditions were set-up in order to simulate 2D plane strain tests. Numerical simulations were conducted on the same data set as used previously for the UDEC modelling in order to estimate and validate the results from the new methodology. A real 3D simulation was also conducted in order to assess the effect of the '2D' conditions in the 3DEC model. Based on the quality of the results it was decided to update the theoretical model and introduce the new methodology based on DFN models and 3DEC simulations for the establishment of the Rock Mechanics Site Descriptive Model. By separating the spatial variability into two parts, one
International Nuclear Information System (INIS)
Chabert, A.; Gendreau, G.; Sauret, J.; Cardin, L.
The ideal machine is first considered, and the following topics are covered: (1) characteristics of accelerator cavities; (2) flat-topping; (3) the traverse of one acceleration interval; (4) the energy gain during the crossing of a cavity; and (5) beam injection conditions. A study is given of the coupling, including space charge forces, phase compression, and the effect of the angular opening of the accelerator cavities. The tolerances on the beam injection parameters and on the accelerator system are discussed
Energy Technology Data Exchange (ETDEWEB)
Andrei, A. Ivanov
2001-06-15
In this thesis we're studying both the general case of the 'classic' Rayleigh-Taylor instability (in incompressible fluids) and more specific cases of the instabilities of Rayleigh-Taylor type in magnetized plasmas, in the liners or wire array implosions etc. We have studied the influence of the Hall diffusion of magnetic field on the growth rate of the instability. We have obtained in this work a self-similar solution for the widening of the initial profile of the magnetic field and for the wave of the penetration of magnetic field. After that the subsequent evolution of the magnetic field in plasma opening switches (POS) has been examined. We have shown the possibility of the existence of a strong rarefaction wave for collisional and non-collisional cases. This wave can explain the phenomenon of the opening of POS. The effect of the suppression of Rayleigh-Taylor instability by forced oscillations of the boundary between two fluids permits us to propose some ideas for the experiments of inertial fusion. We have considered the general case of the instability, in other words - two incompressible viscous superposed fluids in a gravitational field. We have obtained an exact analytical expression for the growth rate and then we have analyzed the influence of the parameters of external 'pumping' on the instability. These results can be applied to a wide range of systems, starting from classic hydrodynamics and up to astrophysical plasmas. The scheme of wire arrays has become recently a very popular method to obtain a high power X-radiation or for a high quality implosion in Z-pinches. The experimental studies have demonstrated that the results of implosion are much better for the case of multiple thin wires situated cylindrically than in a usual liner scheme. We have examined the problem modeling the stabilization of Rayleigh-Taylor instability for a wire array system. The reason for instability suppression is the regular spatial modulation of
Theoretical and numerical treatment of diffraction through a circular aperture
Bouwkamp, C.J.
1970-01-01
The three-dimensional diffraction of a scalar plane wave through a circular aperture in an infinite plane screen is analyzed and numerically computed for the case of normal incidence. A modified Babinet's principle is formulated, and this is used to find the diffraction of sound by an acoustically
Energy Technology Data Exchange (ETDEWEB)
Ivanov, A.A
2001-06-01
The instabilities of Rayleigh-Taylor type are considered in the thesis. The topic of the thesis was inspired by recent advances in the physics of plasma compression, especially with the aid of systems like Z-pinch. Rayleigh-Taylor instability (RTI) plays an important role in the evolution of magnetized plasmas in these experiments, as well as in stellar plasmas and classic fluids. For the phenomena concerning the nuclear fusion the RTI is very often the factor limiting the possibility of compression. In the current work we try to examine in detail the characteristic features of the instabilities of this type in order to eliminate their detrimental influence. In this thesis we are studying both the general case of the 'classic' Rayleigh-Taylor instability (in incompressible fluids) and more specific cases of the instabilities of Rayleigh-Taylor type in magnetized plasmas, in the liners or wire array implosions etc. We have studied the influence of the Hall diffusion of magnetic field on the growth rate of the instability. We have obtained in this work a self-similar solution for the widening of the initial profile of the magnetic field and for the wave of the penetration of magnetic field. After that the subsequent evolution of the magnetic field in plasma opening switches (POS) has been examined. We have shown the possibility of the existence of a strong rarefaction wave for collisional and non-collisional cases. This wave can explain the phenomenon of the opening of POS. The effect of the suppression of Rayleigh-Taylor instability by forced oscillations of the boundary between two fluids permits us to propose some ideas for the experiments of inertial fusion. We have considered the general case of the instability, in other words, two incompressible viscous superposed fluids in a gravitational field. We have obtained an exact analytical expression for the growth rate and then we have analyzed the influence of the parameters of external &apos
Theoretical and applied aerodynamics and related numerical methods
Chattot, J J
2015-01-01
This book covers classical and modern aerodynamics, theories and related numerical methods, for senior and first-year graduate engineering students, including: -The classical potential (incompressible) flow theories for low speed aerodynamics of thin airfoils and high and low aspect ratio wings. - The linearized theories for compressible subsonic and supersonic aerodynamics. - The nonlinear transonic small disturbance potential flow theory, including supercritical wing sections, the extended transonic area rule with lift effect, transonic lifting line and swept or oblique wings to minimize wave drag. Unsteady flow is also briefly discussed. Numerical simulations based on relaxation mixed-finite difference methods are presented and explained. - Boundary layer theory for all Mach number regimes and viscous/inviscid interaction procedures used in practical aerodynamics calculations. There are also four chapters covering special topics, including wind turbines and propellers, airplane design, flow analogies and h...
Dynamical Systems Method and Applications Theoretical Developments and Numerical Examples
Ramm, Alexander G
2012-01-01
Demonstrates the application of DSM to solve a broad range of operator equations The dynamical systems method (DSM) is a powerful computational method for solving operator equations. With this book as their guide, readers will master the application of DSM to solve a variety of linear and nonlinear problems as well as ill-posed and well-posed problems. The authors offer a clear, step-by-step, systematic development of DSM that enables readers to grasp the method's underlying logic and its numerous applications. Dynamical Systems Method and Applications begins with a general introduction and
Theoretical and Numerical Modeling of Acoustic Metamaterials for Aeroacoustic Applications
Directory of Open Access Journals (Sweden)
Umberto Iemma
2016-05-01
Full Text Available The advent, during the first decade of the 21st century, of the concept of acoustic metamaterial has disclosed an incredible potential of development for breakthrough technologies. Unfortunately, the extension of the same concepts to aeroacoustics has turned out to be not a trivial task, because of the different structure of the governing equations, characterized by the presence of the background aerodynamic convection. Some of the approaches recently introduced to circumvent the problem are biased by a fundamental assumption that makes the actual realization of devices extremely unlikely: the metamaterial should guarantee an adapted background aerodynamic convection in order to modify suitably the acoustic field and obtain the desired effect, thus implying the porosity of the cloaking device. In the present paper, we propose an interpretation of the metamaterial design that removes this unlikely assumption, focusing on the identification of an aerodynamically-impermeable metamaterial capable of reproducing the surface impedance profile required to achieve the desired scattering abatement. The attention is focused on a moving obstacle impinged by an acoustic perturbation induced by a co-moving source. The problem is written in a frame of reference rigidly connected to the moving object to couple the convective wave equation in the hosting medium with the inertially-anisotropic wave operator within the cloak. The problem is recast in an integral form and numerically solved through a boundary-field element method. The matching of the local wave vector is used to derive a convective design of the metamaterial applicable to the specific problem analyzed. Preliminary numerical results obtained under the simplifying assumption of a uniform aerodynamic flow reveal a considerable enhancement of the masking capability of the convected design. The numerical method developed shows a remarkable computational efficiency, completing a simulation of the entire
Cyclotron tubes - a theoretical study
Energy Technology Data Exchange (ETDEWEB)
Mourier, G
1980-12-01
The introduction presents a general discussion of electron cyclotron masers (ECM): resonance, relativistic effects, elementary quantum aspects, the classical relativistic bunching and the optimum value of the electric field. The practical structure - in particular that of the gyrotron - is specified only insofar as it is useful for understanding the following chapters. The main parameters are discussed. Section 2 develops a nonlinear adiabatic or orbital theory of electron motion which alleviates calculations considerably while keeping numerical errors low enough for many practical cases. Its results are compared to a rigorous integration in one case. Other cases show the importance of the electric field profile inside the resonant cavity. Section 3 is devoted to space charge phenomena, and, for the most part, to a linear theory with space charge. In its limited range of validity (low-energy electrons), the theory indicates a strong impact of space charge for low a.c. fields and exhibits a pure beam instability. Section 4 is devoted to circuit equations with emphasis on the special features of cavities consisting of a long waveguide near cutoff. The conclusion indicates some trends of gyrotron development and corresponding theoretical problems.
Theoretical studies of combustion dynamics
Energy Technology Data Exchange (ETDEWEB)
Bowman, J.M. [Emory Univ., Atlanta, GA (United States)
1993-12-01
The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.
THEORETICAL ASPECTS OF FILMMUSIC STUDY
Directory of Open Access Journals (Sweden)
Egorova Tatiana K.
2014-04-01
Full Text Available In this article, author analyzes the theoretical aspects of the film music study taking into account with modern realities in the development of world film-process and attempts to its scientific understanding. Need for innovation in this area is long overdue, because the existing on this topic nonfiction no longer meets the new aesthetic and art-practical achievements and innovations in the film music development at the XXI century. Related to the phenomenon of music in screen arts a number of new terms and concepts require a certain adjustment as well. Their range of action is not yet fully defined. Author of the article offered her version of their content-semantic interpretation (largely experimental designed to promote new research methods for the film music study.
Theoretical and numerical analysis of coherent Smith-Purcell radiation
International Nuclear Information System (INIS)
Bei Hua; Chinese Academy of Sciences, Beijing; Dai Zhimin
2008-01-01
Coherent enhancement of Smith-Purcell radiation has attracted people's attention not only in adopting a better source but also in beam diagnostics aspect. In this paper, we study the intrinsic mechanism of coherent Smith-Purcell radiation on the basis of the van den Berg model, The emitted power of Smith-Purcell radiation is determined by the bunch profile in transverse and longitudinal directions. For short bunch whose longitudinal pulse length is comparable with the radiation wavelength, it can be concluded approximately that the power is proportional to the square number of electrons per bunch. (authors)
fp shell spectroscopy: numerical calculations and theoretical aspects
International Nuclear Information System (INIS)
Pasquini, E.A.
1976-01-01
The fp shell spectroscopy is reviewed and the fsup(n) model is introduced. It is shown that the two-body Hamiltonian monopolar terms play a very important part in the behavior of these spectra, and that realistic interactions do not reproduce them. The detailed study of the following nuclei was undertaken: 47 Ca, 48 Ca, 49 Ca, 56 Ni, 48 Sc, 50 Sc, 50 Ti, 46 Ti, 50 Cr, 47 V and 49 Cr. It is shown that very precise values of the few parameters defining the monopolar contributions could be extracted from the comparison between calculations and experimental data. The study of the binding energies of all the nuclei from 40 Ca to 56 Ni shows that it is necessary to introduce three-body forces. The results also reveal the effect of nondiagonal multipoles which are well reproduced by realistic interactions. A better understanding of the electromagnetic behavior of the fsup(n) nuclei of their conjugaison properties and of the relation between 42 Sc and 48 Sc was obtained. Several calculations of two-body transfer amplitudes were proposed [fr
Yu, Jie; Liu, Yikan; Yamamoto, Masahiro
2018-04-01
In this article, we investigate the determination of the spatial component in the time-dependent second order coefficient of a hyperbolic equation from both theoretical and numerical aspects. By the Carleman estimates for general hyperbolic operators and an auxiliary Carleman estimate, we establish local Hölder stability with either partial boundary or interior measurements under certain geometrical conditions. For numerical reconstruction, we minimize a Tikhonov functional which penalizes the gradient of the unknown function. Based on the resulting variational equation, we design an iteration method which is updated by solving a Poisson equation at each step. One-dimensional prototype examples illustrate the numerical performance of the proposed iteration.
International Nuclear Information System (INIS)
Lee, W.W.
2003-01-01
Particle simulation has played an important role for the recent investigations on turbulence in magnetically confined plasmas. In this paper, theoretical and numerical properties of a gyrokinetic plasma as well as its relationship with magnetohydrodynamics (MHD) are discussed with the ultimate aim of simulating microturbulence in transport time scale using massively parallel computers
Theoretical study of rock mass investigation efficiency
International Nuclear Information System (INIS)
Holmen, Johan G.; Outters, Nils
2002-05-01
The study concerns a mathematical modelling of a fractured rock mass and its investigations by use of theoretical boreholes and rock surfaces, with the purpose of analysing the efficiency (precision) of such investigations and determine the amount of investigations necessary to obtain reliable estimations of the structural-geological parameters of the studied rock mass. The study is not about estimating suitable sample sizes to be used in site investigations.The purpose of the study is to analyse the amount of information necessary for deriving estimates of the geological parameters studied, within defined confidence intervals and confidence level In other words, how the confidence in models of the rock mass (considering a selected number of parameters) will change with amount of information collected form boreholes and surfaces. The study is limited to a selected number of geometrical structural-geological parameters: Fracture orientation: mean direction and dispersion (Fisher Kappa and SRI). Different measures of fracture density (P10, P21 and P32). Fracture trace-length and strike distributions as seen on horizontal windows. A numerical Discrete Fracture Network (DFN) was used for representation of a fractured rock mass. The DFN-model was primarily based on the properties of an actual fracture network investigated at the Aespoe Hard Rock Laboratory. The rock mass studied (DFN-model) contained three different fracture sets with different orientations and fracture densities. The rock unit studied was statistically homogeneous. The study includes a limited sensitivity analysis of the properties of the DFN-model. The study is a theoretical and computer-based comparison between samples of fracture properties of a theoretical rock unit and the known true properties of the same unit. The samples are derived from numerically generated boreholes and surfaces that intersect the DFN-network. Two different boreholes are analysed; a vertical borehole and a borehole that is
Studies in theoretical particle physics
International Nuclear Information System (INIS)
Kaplan, D.B.
1991-01-01
This proposal focuses on research on three distinct areas of particle physics: (1) Nonperturbative QCD. I tend to continue work on analytic modelling of nonperturbative effects in the strong interactions. I have been investigating the theoretical connection between the nonrelativistic quark model and QCD. The primary motivation has been to understand the experimental observation of nonzero matrix elements involving current strange quarks in ordinary matter -- which in the quark model has no strange quark component. This has led to my present work on understanding constituent (quark model) quarks as collective excitations of QCD degrees of freedom. (2) Weak Scale Baryogenesis. A continuation of work on baryogenesis in the early universe from weak interactions. In particular, an investigation of baryogenesis occurring during the weak phase transition through anomalous baryon violating processes in the standard model of weak interactions. (3) Flavor and Compositeness. Further investigation of a new mechanism that I recently discovered for dynamical mass generation for fermions, which naturally leads to a family hierarchy structure. A discussion of recent past work is found in the next section, followed by an outline of the proposed research. A recent publication from each of these three areas is attached to this proposal
International Nuclear Information System (INIS)
Aguiar, P.; González-Castaño, D.M.; Gómez, F.; Pardo-Montero, J.
2014-01-01
Liquid-filled ionisation chambers (LICs) are used in radiotherapy for dosimetry and quality assurance. Volume recombination can be quite important in LICs for moderate dose rates, causing non-linearities in the dose rate response of these detectors, and needs to be corrected for. This effect is usually described with Greening and Boag models for continuous and pulsed radiation respectively. Such models assume that the charge is carried by two different species, positive and negative ions, each of those species with a given mobility. However, LICs operating in non-ultrapure mode can contain different types of electronegative impurities with different mobilities, thus increasing the number of different charge carriers. If this is the case, Greening and Boag models can be no longer valid and need to be reformulated. In this work we present a theoretical and numerical study of volume recombination in parallel-plate LICs with multiple charge carrier species, extending Boag and Greening models. Results from a recent publication that reported three different mobilities in an isooctane-filled LIC have been used to study the effect of extra carrier species on recombination. We have found that in pulsed beams the inclusion of extra mobilities does not affect volume recombination much, a behaviour that was expected because Boag formula for charge collection efficiency does not depend on the mobilities of the charge carriers if the Debye relationship between mobilities and recombination constant holds. This is not the case in continuous radiation, where the presence of extra charge carrier species significantly affects the amount of volume recombination. - Highlights: • Analytical extension of Greening and Boag theories to multiple charge carriers. • Detailed numerical study of process of volume recombination in LICs. • Recombination in pulsed beams is independent of number and mobilities of carriers. • Multiple charge carriers have a significant effect in continuous
Numerical studies on divertor experiments
International Nuclear Information System (INIS)
Ueda, N.; Itoh, K.; Itoh, S.-I.; Tanaka, M.; Hasegawa, M.; Shoji, T.; Sugihara, M.
1988-04-01
Numerical analysis on the divertor experiments such as JFT-2M tokamak is made by use of the two-dimensional time-dependent simulation code. The plasma in the scrape-off layer (SOL) and divertor region is solved for the given particle and heat sources from the main plasma, Γ p and Q T . Effect of the direction of the toroidal magnetic field is studied. It is found that the heat flux which is proportional to b vector x ∇T i has influences on the divertor plasmas, but has a small effect on the parameters on the midplane in the framework of the fluid model. Parameter survey on Γ p and Q T is made. The transient response of the SOL/divertor plasma to the sudden change of Γ p and Q T is studied. Time delay in the SOL and divertor region is calculated. (author)
Theoretical studies on aerosol agglomeration processes
Energy Technology Data Exchange (ETDEWEB)
Lehtinen, K.E.J. [VTT Energy, Espoo (Finland). Energy Use
1997-12-31
In this thesis, theoretical modeling of certain aerosol systems has been presented. At first, the aerosol general dynamic equation is introduced, along with a discretization routine for its numerical solution. Of the various possible phenomena affecting aerosol behaviour, this work is mostly focused on aerosol agglomeration. The fundamentals of aerosol agglomeration theory are thus briefly reviewed. The two practical applications of agglomeration studied in this thesis are flue gas cleaning using an electrical agglomerator and nanomaterial synthesis with a free jet reactor. In an electrical agglomerator the aerosol particles are charged and brought into an alternating electric field. The aim is to remove submicron particles from flue gases by collisions with larger particles before conventional gas cleaning devices that have a clear penetration window in the problematic 0.1-1{mu}m size range. A mathematical model was constructed to find out the effects of the different system parameters on the agglomerator`s performance. A crucial part of this task was finding out the collision efficiencies of particles of varying size and charge. The original idea was to use unipolar charging of the particles, and a laboratory scale apparatus was constructed for this purpose. Both theory and experiments clearly show that significant removal of submicron particles can not be achieved by such an arrangement. The theoretical analysis further shows that if the submicron particles and the large collector particles were charged with opposite polarity, significant removal of the submicron particles could be obtained. The second application of agglomeration considered in this thesis is predicting/controlling nanoparticle size in the gas-to-particle aerosol route to material synthesis. In a typical material reactor, a precursor vapor reacts to form molecules of the desired material. In a cooling environment, a particulate phase forms, the dynamics of which are determined by the rates of
Theoretical studies on aerosol agglomeration processes
Energy Technology Data Exchange (ETDEWEB)
Lehtinen, K E.J. [VTT Energy, Espoo (Finland). Energy Use
1998-12-31
In this thesis, theoretical modeling of certain aerosol systems has been presented. At first, the aerosol general dynamic equation is introduced, along with a discretization routine for its numerical solution. Of the various possible phenomena affecting aerosol behaviour, this work is mostly focused on aerosol agglomeration. The fundamentals of aerosol agglomeration theory are thus briefly reviewed. The two practical applications of agglomeration studied in this thesis are flue gas cleaning using an electrical agglomerator and nanomaterial synthesis with a free jet reactor. In an electrical agglomerator the aerosol particles are charged and brought into an alternating electric field. The aim is to remove submicron particles from flue gases by collisions with larger particles before conventional gas cleaning devices that have a clear penetration window in the problematic 0.1-1{mu}m size range. A mathematical model was constructed to find out the effects of the different system parameters on the agglomerator`s performance. A crucial part of this task was finding out the collision efficiencies of particles of varying size and charge. The original idea was to use unipolar charging of the particles, and a laboratory scale apparatus was constructed for this purpose. Both theory and experiments clearly show that significant removal of submicron particles can not be achieved by such an arrangement. The theoretical analysis further shows that if the submicron particles and the large collector particles were charged with opposite polarity, significant removal of the submicron particles could be obtained. The second application of agglomeration considered in this thesis is predicting/controlling nanoparticle size in the gas-to-particle aerosol route to material synthesis. In a typical material reactor, a precursor vapor reacts to form molecules of the desired material. In a cooling environment, a particulate phase forms, the dynamics of which are determined by the rates of
Theoretical studies in nuclear physics
International Nuclear Information System (INIS)
Landau, R.H.; Madsen, V.A.
1991-01-01
This report discusses research in nuclear theory in the following areas: Isospin effects and charge exchange; inelastic and charge exchange scattering; momentum space proton scattering; pion scattering from nuclei; and antiproton studies. 14 refs
Theoretical studies in nuclear physics
International Nuclear Information System (INIS)
Landau, R.H.; Madsen, V.A.
1990-01-01
This report discusses: microscopic imaginary optical potential; isospin effects and charge exchange; multistep inelastic and charge exchange scattering; momentum space proton scattering; pion scattering from nuclei; antiproton studies; antikaons-nucleon interactions; and quantum mechanics. 11 refs
Theoretical studies of unconventional superconductors
Energy Technology Data Exchange (ETDEWEB)
Groensleth, Martin Sigurd
2008-07-01
This thesis presents four research papers. In the first three papers we have derived analytical results for the transport properties in unconventional superconductors and ferromagnetic systems with multiple broken symmetries. In Paper I and parts of Paper II we have studied tunneling transport between two non-unitary ferromagnetic spin-triplet superconductors, and found a novel interplay between ferromagnetism and superconductivity manifested in the Josephson effect as a spin- and charge-current in the absence of an applied voltage across the junction. The critical amplitudes of these currents can be adjusted by the relative magnetization direction on each side of the junction. Furthermore, in Paper II, we have found a way of controlling a spin-current between two ferromagnets with spin-orbit coupling. Paper III considers a junction consisting of a ferromagnet and a non-unitary ferromagnetic superconductor, and we show that the conductance spectra contains detailed information about the superconducting gaps and pairing symmetry of the Cooper-pairs. In the last paper we present a Monte Carlo study of an effective Hamiltonian describing orbital currents in the CuO2 layers of high-temperature superconductive cuprates. The model features two intrinsically anisotropic Ising models, coupled through an anisotropic next-nearest neighbor interaction, and an Ashkin-Teller nearest neighbor fourth order coupling. We have studied the specific heat anomaly, as well as the anomaly in the staggered magnetization associated with the orbital currents and its susceptibility. We have found that in a limited parameter regime, the specific heat anomaly is substantially suppressed, while the susceptibility has a non-analytical peak across the order-disorder transition. The model is therefore a candidate for describing the breakup of hidden order when crossing the pseudo-gap line on the under-doped side in the phase diagram of high-temperature superconductors. (Author) 64 refs., figs
Theoretical studies in nuclear structure
International Nuclear Information System (INIS)
Marshalek, E.R.
1991-11-01
In this period, the work has centered on two topics. The first is the study of a novel type of collective rotation in which an atomic nucleus with an inversion-symmetric shape rotates uniformly about an axis that is not a principal axis of the quadrupole tensor of the density distribution. This mode is referred to as tilted rotation. By using the cranking model together with higher-order corrections, it was shown that tilted rotation is indeed possible, not only within a microscopic framework, but also within the framework of collective models such as the IBM. The maximum tilt angle of π/4 is realized for a certain class of states in the U(5) limit. The second topic, which actually was suggested during the course of the first investigation, is concerned with a new way of representing collective harmonic-oscillator algebras using boson-mapping techniques. In this approach, the many-phonon eigenvectors of a 2λ+1-dimensional oscillator having good angular momentum are represented by simple products of boson operators acting on a vacuum. This representation may simplify the calculation of reduced matrix elements of arbitrary operators in collective models, but more work needs to be done
Numerical study of turbulent diffusion
International Nuclear Information System (INIS)
McCoy, M.G.
1975-01-01
The problem of the numerical simulation of turbulent diffusion is studied. The two-dimensional velocity fields are assumed to be incompressible, homogeneous and stationary, and they are represented as stochastic processes. A technique is offered which creates velocity fields accurately representing the input statistics once a two point correlation function or an energy spectrum is given. Various complicated energy spectra may be represented utilizing this model. The program is then used to extract information concerning Gaussian diffusion processes. Various theories of other workers are tested including Taylor's classical representation of dispersion for times long compared with the Lagrangian correlation time. Also, a study is made of the relation between the Lagrangian and the Eulerian correlation function and a hypothesis is advanced and successfully tested. Questions concerning the relation between small eddies and the energy spectrum are considered. A criterion is advanced and successfully tested to decide whether small scale flow can be detected within the large eddies for any given spectrum. A method is developed to determine whether this small scale motion is in any sense periodic. Finally, the relation between two particle dispersion and the energy spectrum is studied anew and various theories are tested
Numerical Study of Corrosion Crack Opening
DEFF Research Database (Denmark)
Thoft-Christensen, Palle; Frandsen, Henrik Lund; Svensson, Staffan
2008-01-01
is proportional. More recently, the constant of proportionality, the so-called crack-corrosion index, has been studied further with respect to its dependence on the diameter of the reinforcement and the concrete cover. In the present paper the above-mentioned work is presented and extended with more realistic 3D......-models of the cracked concrete beam. The crack-corrosion index is evaluated for a variation of different parameters, i.e. bar diameter, concrete cover, crack length and type of corrosion product. This paper is an extended version of a paper by Thoft-Christensen et al. (2005) presented at the IFIP WG 7.5 Conference...... for the corrosion crack opening. Experiments and theoretical analysis by a numerical method, FEM, support that the relation between the reduction of the reinforcement bar diameter due to corrosion and the corresponding increase in crack width for a given time interval, measured on the surface of a concrete specimen...
International Nuclear Information System (INIS)
Figueroa, Aldo; Meunier, Patrice; Villermaux, Emmanuel; Cuevas, Sergio; Ramos, Eduardo
2014-01-01
We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, “The diffusive strip method for scalar mixing in two-dimensions,” J. Fluid Mech. 662, 134–172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors
Theoretical and numerical investigations of sub-wavelength diffractive optical structures
DEFF Research Database (Denmark)
Dridi, Kim
2000-01-01
The work in this thesis concerns theoretical and numerical investigations of sub-wavelength diffractive optical structures, relying on advanced two-dimensional vectorial numerical models that have applications in Optics and Electromagnetics. Integrated Optics is predicted to play a major role......, such as in dielectric waveguides with gratings and periodic media or photonic crystal structures. The vectorial electromagnetic nature of light is therefore taken into account in the modeling of these diffractive structures. An electromagnetic vector-field model for optical components design based on the classical...... finite-difference time domain method and exact radiation integrals is implemented for the polarization where the electric field vector is perpendicular to the two dimentional plane of symmetry. The computational model solves the full vectorial time domain Maxwell equations with general sources...
Energy Technology Data Exchange (ETDEWEB)
Grismayer, T
2006-12-15
This work is a theoretical and numerical study on the high energy ion acceleration in laser created plasma expansion. The ion beams produced on the rear side of an irradiated foil reveal some characteristics (low divergence, wide spectra) which distinguish them from the ones coming from the front side. The discovery of these beams has renewed speculation for applications such as proton-therapy or proton radiography. The ion acceleration is performed via a self-consistent electrostatic field due to the charge separation between ions and hot electrons. In the first part of this dissertation, we present the fluid theoretical model and the hybrid code which simulates the plasma expansion. The numerical simulation of a recent experience on the dynamic of the electric field by proton radiography validates the theoretical model. The second part deals with the influence of an initial ion density gradient on the acceleration efficiency. We establish a model which relates the plasma dynamic and more precisely the wave breaking of the ion flow. The numerical results which predict a strong decrease of the ion maximum energy for large gradient length are in agreement with the experimental data. The Boltzmann equilibrium for the electron assumed in the first part has been thrown back into doubt in the third part. We adopt a kinetic description for the electron. The new version of the code can measure the Boltzmann law deviation which does not strongly modify the maximum energy that can reach the ions. (author)
The Adriatic response to the bora forcing. A numerical study
International Nuclear Information System (INIS)
Rachev, N.
2001-01-01
This paper deals with the bora wind effect on the Adriatic Sea circulation as simulated by a 3-D numerical code (the DieCAST model). The main result of this forcing is the formation of intense upwelling along the eastern coast in agreement with previous theoretical studies and observations. Different numerical experiments are discussed for various boundary and initial conditions to evaluate their influence on both circulation and upwelling patterns
Theoretical studies of chemical reaction dynamics
Energy Technology Data Exchange (ETDEWEB)
Schatz, G.C. [Argonne National Laboratory, IL (United States)
1993-12-01
This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.
International Nuclear Information System (INIS)
Ahadi, Amirhossein; Jawad, H.; Saghir, M.Z.; Giraudet, C.; Croccolo, F.; Bataller, H.
2014-01-01
Thermodiffusion in a hydrocarbon binary mixture has been investigated experimentally and numerically in a liquid-porous cavity. The solutal separation of the 50% toluene and 50% n-hexane binary mixture induced by a temperature difference at atmospheric pressure has been performed in a new thermodiffusion cell. A new optimized cell design is used in this study. The inner part of the cell is a cylindrical porous medium sandwiched between two liquid layers of the same binary hydrocarbon mixture. Experimental measurement and theoretical estimation of the molecular diffusion and thermodiffusion coefficients showed a good agreement. In order to understand the different regimes occurring in the different parts of the cell, a full transient numerical simulation of the solutal separation of the binary mixture has been performed. Numerical results showed that the lighter species, which are of n-hexane migrated toward the hot surface, while the denser species, which is toluene migrated towards the cold surface. Also, it was found that a good agreement has been reached between experimental measurements and numerical calculations for the solutal separation between the hot and cold surface for different medium porosity. In addition, we used the numerical results to analyse convection and diffusion regions in the cell precisely. (authors)
Surfactants, interfaces and pores : a theoretical study
Huinink, H.
1998-01-01
The aim of this study was to investigate the behavior of surfactants in porous media by theoretical means. The influence of curvature of a surface on the adsorption has been studied with a mean field lattice (MFL) model, as developed by Scheutjens and Fleer. An analytical theory has been
Gyrotactic trapping: A numerical study
Ghorai, S.
2016-04-01
Gyrotactic trapping is a mechanism proposed by Durham et al. ["Disruption of vertical motility by shear triggers formation of thin Phytoplankton layers," Science 323, 1067-1070 (2009)] to explain the formation of thin phytoplankton layer just below the ocean surface. This mechanism is examined numerically using a rational model based on the generalized Taylor dispersion theory. The crucial role of sedimentation speed in the thin layer formation is demonstrated. The effects of variation in different parameters on the thin layer formation are also investigated.
Cheng, Jin; Hon, Yiu-Chung; Seo, Jin Keun; Yamamoto, Masahiro
2005-01-01
The Second International Conference on Inverse Problems: Recent Theoretical Developments and Numerical Approaches was held at Fudan University, Shanghai from 16-21 June 2004. The first conference in this series was held at the City University of Hong Kong in January 2002 and it was agreed to hold the conference once every two years in a Pan-Pacific Asian country. The next conference is scheduled to be held at Hokkaido University, Sapporo, Japan in July 2006. The purpose of this series of biennial conferences is to establish and develop constant international collaboration, especially among the Pan-Pacific Asian countries. In recent decades, interest in inverse problems has been flourishing all over the globe because of both the theoretical interest and practical requirements. In particular, in Asian countries, one is witnessing remarkable new trends of research in inverse problems as well as the participation of many young talents. Considering these trends, the second conference was organized with the chairperson Professor Li Tat-tsien (Fudan University), in order to provide forums for developing research cooperation and to promote activities in the field of inverse problems. Because solutions to inverse problems are needed in various applied fields, we entertained a total of 92 participants at the second conference and arranged various talks which ranged from mathematical analyses to solutions of concrete inverse problems in the real world. This volume contains 18 selected papers, all of which have undergone peer review. The 18 papers are classified as follows: Surveys: four papers give reviews of specific inverse problems. Theoretical aspects: six papers investigate the uniqueness, stability, and reconstruction schemes. Numerical methods: four papers devise new numerical methods and their applications to inverse problems. Solutions to applied inverse problems: four papers discuss concrete inverse problems such as scattering problems and inverse problems in
Solar pond conception - experimental and theoretical studies
Energy Technology Data Exchange (ETDEWEB)
Kurt, Huseyin [Zonguldak Karaelmas Univ., Technical Education Faculty, Karabuk (Turkey); Halici, Fethi [Sakarya Univ., Mechanical Engineering Dept., Adapazari (Turkey); Binark, A. Korhan [Marmara Univ., Technical Education Faculty, Istanbul (Turkey)
2000-07-01
A one dimensional transient mathematical model for predicting the thermal performance of the salt gradient solar pond is developed and presented. In this paper, the natural solar ponds and different artificial solar pond systems found in the literature are introduced. Necessary modifications are made on the experimental stand located in Istanbul Technical University, the experimental stand is introduced and natural phenomena produced in the pond by the different solar pond variations under natural conditions are observed. In the theoretical work based on a one dimensional unsteady state heat conduction model with internal heat generation, the energy and mass balance equations for the upper convective zone, the non-convective zone and the lower convective zone, all of which form the solar pond, are written in terms of differential equations. These equations are solved analytically and numerically. The results obtained from the analysis are compared with the experimental results. The temperature and the concentration profiles are separately presented in the figures. (Author)
EXPERIMENT AL AND THEORETICAL STUDY OF PRECAST ...
African Journals Online (AJOL)
EXPERIMENT AL AND THEORETICAL STUDY OF PRECAST BEAM-SLAB. CONSTRUCTION. Girma Zerayohannes and Adil Zekaria. Department of Civil Engineering. Addis Ababa University. ABSTRACT. The use of partially precast beam elements ivith shear connectors in slab construction relieves the requirement of ...
A combined experimental and theoretical study
Indian Academy of Sciences (India)
A combined theoretical and experimental study was also performed, which demonstrated that the clus- ters 1–3 with ... silica gel TLC plates (MERCK TLC Plates). The NMR .... tronic μ3-Se and maintains the same number of clus- ter valance ...
Theoretical and simulation studies of seeding methods
Energy Technology Data Exchange (ETDEWEB)
Pellegrini, Claudio [Univ. of California, Los Angeles, CA (United States)
2017-12-11
We report the theoretical and experimental studies done with the support of DOE-Grant DE-SC0009983 to increase an X-ray FEL peak power from the present level of 20 to 40 GW to one or more TW by seeding, undulator tapering and using the new concept of the Double Bunch FEL.
Theoretical studies of controlled fusion. Final report
International Nuclear Information System (INIS)
Krall, N.A.
1986-01-01
Transport in FRC was studied analytically and numerically. The physics considered included lower-hybrid-drift turbulence, rapid convection along closed magnetic field lines, nonadiabaticity, and large particle orbits. The study also extended conventional modeling procedures by developing nonlocal models of stability and transport and determined the relation between such models and the more widely used local models
Theoretical Hill-type muscle and stability: numerical model and application.
Schmitt, S; Günther, M; Rupp, T; Bayer, A; Häufle, D
2013-01-01
The construction of artificial muscles is one of the most challenging developments in today's biomedical science. The application of artificial muscles is focused both on the construction of orthotics and prosthetics for rehabilitation and prevention purposes and on building humanoid walking machines for robotics research. Research in biomechanics tries to explain the functioning and design of real biological muscles and therefore lays the fundament for the development of functional artificial muscles. Recently, the hyperbolic Hill-type force-velocity relation was derived from simple mechanical components. In this contribution, this theoretical yet biomechanical model is transferred to a numerical model and applied for presenting a proof-of-concept of a functional artificial muscle. Additionally, this validated theoretical model is used to determine force-velocity relations of different animal species that are based on the literature data from biological experiments. Moreover, it is shown that an antagonistic muscle actuator can help in stabilising a single inverted pendulum model in favour of a control approach using a linear torque generator.
Theoretical Hill-Type Muscle and Stability: Numerical Model and Application
Directory of Open Access Journals (Sweden)
S. Schmitt
2013-01-01
Full Text Available The construction of artificial muscles is one of the most challenging developments in today’s biomedical science. The application of artificial muscles is focused both on the construction of orthotics and prosthetics for rehabilitation and prevention purposes and on building humanoid walking machines for robotics research. Research in biomechanics tries to explain the functioning and design of real biological muscles and therefore lays the fundament for the development of functional artificial muscles. Recently, the hyperbolic Hill-type force-velocity relation was derived from simple mechanical components. In this contribution, this theoretical yet biomechanical model is transferred to a numerical model and applied for presenting a proof-of-concept of a functional artificial muscle. Additionally, this validated theoretical model is used to determine force-velocity relations of different animal species that are based on the literature data from biological experiments. Moreover, it is shown that an antagonistic muscle actuator can help in stabilising a single inverted pendulum model in favour of a control approach using a linear torque generator.
Haeufle, D F B; Günther, M; Blickhan, R; Schmitt, S
2011-01-01
Recently, the hyperbolic Hill-type force-velocity relation was derived from basic physical components. It was shown that a contractile element CE consisting of a mechanical energy source (active element AE), a parallel damper element (PDE), and a serial element (SE) exhibits operating points with hyperbolic force-velocity dependency. In this paper, the contraction dynamics of this CE concept were analyzed in a numerical simulation of quick release experiments against different loads. A hyperbolic force-velocity relation was found. The results correspond to measurements of the contraction dynamics of a technical prototype. Deviations from the theoretical prediction could partly be explained by the low stiffness of the SE, which was modeled analog to the metal spring in the hardware prototype. The numerical model and hardware prototype together, are a proof of this CE concept and can be seen as a well-founded starting point for the development of Hill-type artificial muscles. This opens up new vistas for the technical realization of natural movements with rehabilitation devices. © 2011 IEEE
Energy Technology Data Exchange (ETDEWEB)
Senechal, U.; Breitkopf, C. [Technische Univ. Dresden (Germany). Inst. fuer Energietechnik
2011-07-01
Temporal analysis of products (TAP) is a valuable tool for characterization of porous catalytic structures. Established TAP-modeling requires a spatially constant diffusion coefficient and neglect convective flows, which is only valid in Knudsen diffusion regime. Therefore in experiments, the number of molecules per pulse must be chosen accordingly. New approaches for variable process conditions are highly required. Thus, a new theoretical model is developed for estimating the number of molecules per pulse to meet these requirements under any conditions and at any time. The void volume is calculated as the biggest sphere fitting between three pellets. The total number of pulsed molecules is assumed to fill the first void volume at the inlet immediately. Molecule numbers from these calculations can be understood as maximum possible molecules at any time in the reactor to be in Knudsen diffusion regime, i.e., above the Knudsen number of 2. Moreover, a new methodology for generating a full three-dimensional geometrical representation of beds is presented and used for numerical simulations to investigate spatial effects. Based on a freely available open-source game physics engine library (BULLET), beds of arbitrary-sized pellets can be generated and transformed to CFD-usable geometry. In CFD-software (ANSYS CFX registered) a transient diffusive transport equation with time-dependent inlet boundary conditions is solved. Three different pellet diameters were investigated with 1e18 molecules per pulse, which is higher than the limit from the theoretical calculation. Spatial and temporal distributions of transported species show regions inside the reactor, where non-Knudsen conditions exist. From this results, the distance from inlet can be calculated where the theoretical pressure limit (Knudsen number equals 2) is obtained, i.e., from this point to the end of the reactor Knudsen regime can be assumed. Due to linear dependency of pressure and concentration (assuming ideal
Directory of Open Access Journals (Sweden)
M. Boumaza
2015-07-01
Full Text Available Transient convection heat transfer is of fundamental interest in many industrial and environmental situations, as well as in electronic devices and security of energy systems. Transient fluid flow problems are among the more difficult to analyze and yet are very often encountered in modern day technology. The main objective of this research project is to carry out a theoretical and numerical analysis of transient convective heat transfer in vertical flows, when the thermal field is due to different kinds of variation, in time and space of some boundary conditions, such as wall temperature or wall heat flux. This is achieved by the development of a mathematical model and its resolution by suitable numerical methods, as well as performing various sensitivity analyses. These objectives are achieved through a theoretical investigation of the effects of wall and fluid axial conduction, physical properties and heat capacity of the pipe wall on the transient downward mixed convection in a circular duct experiencing a sudden change in the applied heat flux on the outside surface of a central zone.
Combustion Behaviour of Pulverised Wood - Numerical and Experimental Studies. Part 1 Numerical Study
Energy Technology Data Exchange (ETDEWEB)
Elfasakhany, A.; Xue-Song Bai [Lund Inst. of Tech. (Sweden). Dept. of Heat and Power Engineering
2002-12-01
This report describes a theoretical/numerical investigation of the particle motion and the particle drying, pyrolysis, oxidation of volatile and char in a pulverised biofuel (wood) flame. This work, along with the experimental measurement of a pulverised wood flame in a vertical furnace at TPS, is supported by the Swedish Energy Agency, STEM. The fundamental combustion process of a pulverised wood flame with determined size distribution and anisotropy character is studied. Comprehensive submodels are studied and some models not available in the literature are developed. The submodels are integrated to a CFD code, previously developed at LTH. The numerical code is used to simulate the experimental flame carried out at TPS (as sub-task 2 within the project). The sub-models describe the drying, devolatilization, char formation of wood particles, and the oxidation reaction of char and the gas phase volatile. At the present stage, the attention is focused on the understanding and modelling of non-spherical particle dynamics and the drying, pyrolysis, and oxidation of volatile and char. Validation of the sub-models against the experimental data is presented and discussed in this study. The influence of different factors on the pulverised wood flame in the TPS vertical furnace is investigated. This includes shape of the particles, the effect of volatile release, as well as the orientation of the particles on the motion of the particles. The effect of particle size on the flame structure (distribution of species and temperature along the axis of the furnace) is also studied. The numerical simulation is in close agreement with the TPS experimental data in the concentrations of species O{sub 2}, CO{sub 2} as well as temperature. Some discrepancy between the model simulations and measurements is observed, which suggests that further improvement in our understanding and modeling the pulverised wood flame is needed.
Effect of object functions on tomographic reconstruction a numerical study
International Nuclear Information System (INIS)
Babu Rao, C.; Baldev Raj; Ravichandran, V.S.; Munshi, P.
1996-01-01
Convolution back projection is the most widely used algorithm of computed tomography (CT). Theoretical studies show that under ideal conditions, the error in the reconstruction can be correlated with the second fourier space derivative of filter function and with the Laplacian of the object function. This paper looks into the second aspect of the error function. In this paper a systematic numerical study is presented on the effect to object functions on global and local errors. (author)
Numerical studies of the linear theta pinch
International Nuclear Information System (INIS)
Brackbill, J.U.; Menzel, M.T.; Barnes, D.C.
1975-01-01
Aspects of several physical problems associated with linear theta pinches were studied using recently developed numerical methods for the solution of the nonlinear equations for time-dependent magnetohydrodynamic flow in two- and three-dimensions. The problems studied include the propagation of end-loss produced rarefaction waves, the flow produced in a proposed injection experiment geometry, and the linear growth and nonlinear saturation of instabilities in rotating plasmas, all in linear geometries. The studies illustrate how numerical computations aid in flow visualization, and how the small amplitude behavior and nonlinear fate of plasmas in unstable equilibria can be connected through the numerical solution of the dynamical equations. (auth)
Directory of Open Access Journals (Sweden)
Yin Song
2014-12-01
Full Text Available Though the importance of curvature continuity on compressor blade performances has been realized, there are two major questions that need to be solved, i.e., the respective effects of curvature continuity at the leading-edge blend point and the main surface, and the contradiction between the traditional theory and experimental observations in the effect of those novel leading-edge shapes with smaller curvature discontinuity and sharper nose. In this paper, an optimization method to design continuous-curvature blade profiles which deviate little from datum blades is proposed, and numerical and theoretical analysis is carried out to investigate the continuous-curvature effect on blade performances. The results show that the curvature continuity at the leading-edge blend point helps to eliminate the separation bubble, thus improving the blade performance. The main-surface curvature continuity is also beneficial, although its effects are much smaller than those of the blend-point curvature continuity. Furthermore, it is observed that there exist two factors controlling the leading-edge spike, i.e., the curvature discontinuity at the blend point which dominates at small incidences, and the nose curvature which dominates at large incidences. To the authors’ knowledge, such mechanisms have not been reported before, and they can help to solve the sharp-leading-edge paradox.
CO oxidation on gold nanoparticles: Theoretical studies
DEFF Research Database (Denmark)
Remediakis, Ioannis; Lopez, Nuria; Nørskov, Jens Kehlet
2005-01-01
We present a summary of our theoretical results regarding CO oxidation on both oxide-supported and isolated gold nanoparticles. Using Density Functional Theory we have studied the adsorption of molecules and the oxidation reaction of CO on gold clusters. Low-coordinated sites on the gold...... nanoparticles can adsorb small inorganic molecules such as O2 and CO, and the presence of these sites is the key factor for the catalytic properties of supported gold nanoclusters. Other contributions, induced by the presence of the support, can provide parallel channels for the reaction and modulate the final...
Experimental and theoretical study of reflux condensation
Energy Technology Data Exchange (ETDEWEB)
Bakke, Knut
1997-12-31
This thesis studies the separation of gas mixtures in a reflux condenser. also called a dephlegmator. Reflux condensation is separation of a gas mixture, in reflux flow with condensing liquid, under continuous heat removal. A numerical model of a dephlegmator for binary mixtures was developed. The model may readily be extended to multi-component mixtures, as the solution method is based on a matrix solver. Separation of a binary mixture in a reflux condenser test rig is demonstrated. The test facility contains a single-tube test section that was designed and built as part of the project. Test mixtures of propane and n-butane were used, and a total of 15 experiments are reported. Limited degree of separation was achieved due to limited heat transfer area and narrow boiling point range of the test mixture. The numerical model reproduces the experimental data within reasonable accuracy. Deviation between calculated and measured properties is less than 6% of the measured temperature and less than 5% of the measured flow rate. The model is based on mechanistic models of physical processes and is not calibrated or tuned to fit the experimental data. The numerical model is applied to a number of separation processes. These case studies show that the required heat transfer area increases rapidly with increments in top product composition (light component). Flooding limits the amount of reflux liquid. The dephlegmator is suitable for separation of feed mixtures that are rich in light components. The gliding temperature in the dephlegmation process enables utilization of top product as refrigerant, with subsequent energy saving as a result. 61 refs., 50 figs., 34 tabs.
Directory of Open Access Journals (Sweden)
Sergiu Ciprian Catinas
2015-07-01
Full Text Available A detailed theoretical and practical investigation of the reinforced concrete elements is due to recent techniques and method that are implemented in the construction market. More over a theoretical study is a demand for a better and faster approach nowadays due to rapid development of the calculus technique. The paper above will present a study for implementing in a static calculus the direct stiffness matrix method in order capable to address phenomena related to different stages of loading, rapid change of cross section area and physical properties. The method is a demand due to the fact that in our days the FEM (Finite Element Method is the only alternative to such a calculus and FEM are considered as expensive methods from the time and calculus resources point of view. The main goal in such a method is to create the moment-curvature diagram in the cross section that is analyzed. The paper above will express some of the most important techniques and new ideas as well in order to create the moment curvature graphic in the cross sections considered.
Theoretical pluralism in psychoanalytic case studies.
Willemsen, Jochem; Cornelis, Shana; Geerardyn, Filip M; Desmet, Mattias; Meganck, Reitske; Inslegers, Ruth; Cauwe, Joachim M B D
2015-01-01
The aim of this study is to provide an overview of the scientific activity of different psychoanalytic schools of thought in terms of the content and production of case studies published on ISI Web of Knowledge. Between March 2013 and November 2013, we contacted all case study authors included in the online archive of psychoanalytic and psychodynamic case studies (www.singlecasearchive.com) to inquire about their psychoanalytic orientation during their work with the patient. The response rate for this study was 45%. It appears that the two oldest psychoanalytic schools, Object-relations psychoanalysis and Ego psychology or "Classical psychoanalysis" dominate the literature of published case studies. However, most authors stated that they feel attached to two or more psychoanalytic schools of thought. This confirms that the theoretical pluralism in psychoanalysis stretches to the field of single case studies. The single case studies of each psychoanalytic school are described separately in terms of methodology, patient, therapist, or treatment features. We conclude that published case studies features are fairly similar across different psychoanalytic schools. The results of this study are not representative of all psychoanalytic schools, as some do not publish their work in ISI ranked journals.
Theoretical pluralism in psychoanalytic case studies
Willemsen, Jochem; Cornelis, Shana; Geerardyn, Filip M.; Desmet, Mattias; Meganck, Reitske; Inslegers, Ruth; Cauwe, Joachim M. B. D.
2015-01-01
The aim of this study is to provide an overview of the scientific activity of different psychoanalytic schools of thought in terms of the content and production of case studies published on ISI Web of Knowledge. Between March 2013 and November 2013, we contacted all case study authors included in the online archive of psychoanalytic and psychodynamic case studies (www.singlecasearchive.com) to inquire about their psychoanalytic orientation during their work with the patient. The response rate for this study was 45%. It appears that the two oldest psychoanalytic schools, Object-relations psychoanalysis and Ego psychology or “Classical psychoanalysis” dominate the literature of published case studies. However, most authors stated that they feel attached to two or more psychoanalytic schools of thought. This confirms that the theoretical pluralism in psychoanalysis stretches to the field of single case studies. The single case studies of each psychoanalytic school are described separately in terms of methodology, patient, therapist, or treatment features. We conclude that published case studies features are fairly similar across different psychoanalytic schools. The results of this study are not representative of all psychoanalytic schools, as some do not publish their work in ISI ranked journals. PMID:26483725
Theoretical & Experimental Studies of Elementary Particles
Energy Technology Data Exchange (ETDEWEB)
McFarland, Kevin [Univ. of Rochester, NY (United States)
2012-10-04
Abstract High energy physics has been one of the signature research programs at the University of Rochester for over 60 years. The group has made leading contributions to experimental discoveries at accelerators and in cosmic rays and has played major roles in developing the theoretical framework that gives us our ``standard model'' of fundamental interactions today. This award from the Department of Energy funded a major portion of that research for more than 20 years. During this time, highlights of the supported work included the discovery of the top quark at the Fermilab Tevatron, the completion of a broad program of physics measurements that verified the electroweak unified theory, the measurement of three generations of neutrino flavor oscillations, and the first observation of a ``Higgs like'' boson at the Large Hadron Collider. The work has resulted in more than 2000 publications over the period of the grant. The principal investigators supported on this grant have been recognized as leaders in the field of elementary particle physics by their peers through numerous awards and leadership positions. Most notable among them is the APS W.K.H. Panofsky Prize awarded to Arie Bodek in 2004, the J.J. Sakurai Prizes awarded to Susumu Okubo and C. Richard Hagen in 2005 and 2010, respectively, the Wigner medal awarded to Susumu Okubo in 2006, and five principal investigators (Das, Demina, McFarland, Orr, Tipton) who received Department of Energy Outstanding Junior Investigator awards during the period of this grant. The University of Rochester Department of Physics and Astronomy, which houses the research group, provides primary salary support for the faculty and has waived most tuition costs for graduate students during the period of this grant. The group also benefits significantly from technical support and infrastructure available at the University which supports the work. The research work of the group has provided educational opportunities
Numerical study of fractional nonlinear Schrodinger equations
Klein, Christian
2014-10-08
Using a Fourier spectral method, we provide a detailed numerical investigation of dispersive Schrödinger-type equations involving a fractional Laplacian in an one-dimensional case. By an appropriate choice of the dispersive exponent, both mass and energy sub- and supercritical regimes can be identified. This allows us to study the possibility of finite time blow-up versus global existence, the nature of the blow-up, the stability and instability of nonlinear ground states and the long-time dynamics of solutions. The latter is also studied in a semiclassical setting. Moreover, we numerically construct ground state solutions of the fractional nonlinear Schrödinger equation.
Theoretical and numerical studies in magnetic mirror fusion
International Nuclear Information System (INIS)
1990-01-01
It is proposed to investigate the dependence of neo-classical transport on aspect ratio and on the structure of the magnetic surfaces for general collisionality by use of relaxation models for collisions for a general mixture of electrons and ions. An optimum relaxation frequency will be determined for each transport coefficient by fitting those limiting results available. Simple models of turbulent transport will be added. A general purpose code will be developed, including the resulting transport equations, and made accessible to the fusion community. The results of this code his will be compared with known results. The solutions using the simple relaxation model will be compared with the counterpart results to be obtained by using a Lorentz model for collisions
Theoretical study of defect properties in metals
International Nuclear Information System (INIS)
Sindzingre, P.
1987-01-01
Several characteristic properties (formation and migration enthalpies and volumes, dipole tensors, effects on shear elastic constants) of several point defects (vacancy, divacancy, interstitial, di-interstitial) in different metals: f.c.c. metals (Al, Cu, Ag, Au), h.c.p. metals (Be, Mg, Zn, Cd, Na, Co, Ti, Zr), b.c.c. metals (Li, Na, K, Rb, Cs) have been calculated. The calculated properties are evaluated from static computations performed with pair potentials derived from pseudo-potential theory (for simple or noble metals) or deduced empirically. Results are compared with available experimental data with previous theoretical works. The first part of this work where we have studied point defects properties in f.c.c. metals lead us to suggest a more convincing interpretation of X-ray scattering and elastic relation measurements concerning interstitials in Al and Cu, and a new interpretation for X-ray scattering measurements concerning di-interstitials in Al. In the second part, devoted to h.c.p. metals we are brought to propose for each studied metal the interstitial configurations which yield the best agreement with experimental results. The third part, devoted to the study of point defects in alkalin b.c.c. metals lead us to interpret self-diffusion in these metals with the assumption of a simultaneous contribution of monovacancies, divacancies and interstitials [fr
Theoretical and experimental studies of elementary physics
International Nuclear Information System (INIS)
Bodek, A.; Ferbel, T.; Melissinos, A.C.; Slattery, P.; Tipton, P.; Das, A.; Hagen, C.R.; Rajeev, S.G.; Okubo, S.; Orr, L.
1993-01-01
The various components of the high-energy physics research program at the University of Rochester are presented. (I)Fixed-target experimentation at FNAL includes studies of direct photon production by p and π on H, Be, and Cu, and hybrid mesons and other physics issues in Coulomb excitation at high energies. (II)The status of the GEM (Gammas, Electrons, and Muons) Experiment at the SSC is given. (III)The D-Zero experiment at FNAL is reviewed. (IV)Deep inelastic lepton--nucleon scattering experiments are summarized: electron scattering experiments at SLAC, FNAL neutrino quad triplet runs, FNAL neutrino sign selected experiments, and SDC cosmic ray test and test beam calibration. (V)Studies of nonlinear QED at SLAC concentrated on a study of QED at critical field strength in intense laser--high-energy electron collisions. (VI)Development work on the Collider Detector at Fermilab (CDF) emphasized the CDF silicon vertex detector, the end plug calorimeter, and the SDC tile/fiber calorimetry. (VII)The theoretical physics effort is sketched
Theoretical and observational studies of stellar activity
International Nuclear Information System (INIS)
Schmitt, J.H.M.M.
1984-01-01
In the theoretical part of this thesis, doubly-diffusive MHD instabilities are studied as a means of breaking up a diffuse magnetic field at the bottom of the solar convection zone. The analysis is linear and local, and assumes short meridional wavelengths; the effects of rotation and diffusion of vorticity, magnetic fields and heat are included. Results show that the instability depends sensitively on the temperature stratification, but rather insensitively on the assumed magnetic field configuration; instability time scales considerably less than the solar cycle period can be easily obtained. In the observational part of the thesis, results are reported of a survey of the x-ray emission of stars with shallow connection zones to study the onset of convection and dynamo activity along the main sequence. Complications arising from stellar multiplicity are discussed extensively; it is demonstrated that binaries have statistically higher x-ray luminosities; and it is shown that physical parameters can only be deduced from single stars. It is further shown that the x-ray luminosities of stars with spectral type in the color range 0.1 less than or equal to B. V less than or equal to 0.5 increase rapidly, whereas stars with B. V approx. 0.0 appear to have no intrinsic x-ray emission at presently detectable levels
Theoretical and experimental study of thermoacoustic engines
Raspet, Richard; Bass, Henry E.; Arnott, W. P.
1992-12-01
A three year study of thermoacoustic engines operating as prime movers and refrigerators was completed. The major thrust of this effort was the use and theoretical description of ceramic honeycomb structures as the active element in thermoacoustic engines. An air-filled demonstration prime mover was constructed and demonstrated at Acoustical Society of America and IEE meetings. A helium-filled test prime mover was designed and built an is being employed in studies of the threshold of oscillation as a function of temperature difference and pressure. In addition, acoustically based theories of the thermoacoustic engine have been developed and tested for a parallel plate stack at the Naval Postgraduate School and for a honeycomb stack at the University of Mississippi. Most of this work is described in detail in the attached publications. In this report we will give an overview of the research completed to date and its relationship to work performed at the Naval Postgraduate School and to future work at the University of Mississippi.
Studies In Theoretical High Energy Particle Physics
Energy Technology Data Exchange (ETDEWEB)
Keung, Wai Yee [Univ. of Illinois, Chicago, IL (United States)
2017-07-01
This is a final technical report for grant no. DE-SC0007948 describing research activities in theoretical high energy physics at University of Illinois at Chicago for the whole grant period from July 1, 2012 to March 31, 2017.
Analytic and numerical studies of Scyllac equilibrium
International Nuclear Information System (INIS)
Barnes, D.C.; Brackbill, J.U.; Dagazian, R.Y.; Freidberg, J.P.; Schneider, W.; Betancourt, O.; Garabedian, P.
1976-01-01
The results of both numerical and analytic studies of the Scyllac equilibria are presented. Analytic expansions are used to derive equilibrium equations appropriate to noncircular cross sections, and compute the stellarator fields which produce toroidal force balance. Numerical algorithms are used to solve both the equilibrium equations and the full system of dynamical equations in three dimensions. Numerical equilibria are found for both l = 1,0 and l= 1,2 systems. It is found that the stellarator fields which produce equilibria in the l = 1.0 system are larger for diffuse than for sharp boundary plasma profiles, and that the stability of the equilibria depends strongly on the harmonic content of the stellarator fields
Numerical Study of Planar GPR Antenna Measurements
DEFF Research Database (Denmark)
Meincke, Peter; Hansen, Thorkild
2004-01-01
The formulation of planar near-field measurements of GPR antennas determines the plane-wave spectra of the GPR antenna in terms of measurements obtained with a buried probe as the GPR antenna moves over a scan plane on the ground. A numerical study investigates how the formulation is affected by (1...
Theoretical Foundations of Study of Cartography
Talhofer, Václav; Hošková-Mayerová, Šárka
2018-05-01
Cartography and geoinformatics are technical-based fields which deal with modelling and visualization of landscape in the form of a map. The theoretical foundation is necessary to obtain during study of cartography and geoinformatics based mainly on mathematics. For the given subjects, mathematics is necessary for understanding of many procedures that are connected to modelling of the Earth as a celestial body, to ways of its projection into a plane, to methods and procedures of modelling of landscape and phenomena in society and visualization of these models in the form of electronic as well as classic paper maps. Not only general mathematics, but also its extension of differential geometry of curves and surfaces, ways of approximation of lines and surfaces of functional surfaces, mathematical statistics and multi-criterial analyses seem to be suitable and necessary. Underestimation of the significance of mathematical education in cartography and geoinformatics is inappropriate and lowers competence of cartographers and professionals in geographic information science and technology to solve problems.
Sibutramine characterization and solubility, a theoretical study
Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René
2013-04-01
Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.
The theoretical study of the optical klystron free electron laser
International Nuclear Information System (INIS)
Yang Zhenhua
2001-01-01
The work of the theoretical study and numerical simulation of optical klystron free electron laser is supported by National 863 Research Development Program and National Science Foundation of China. The object of studying UV band free electron laser (FEL) is to understand the physical law of optical klystron FEL and to gain experience for design. A three-dimensional code OPFEL are made and it is approved that the code is correct completely. The magnetic field of the optical klystron, the energy modulation of the electron beam, the density modulation of the electron beam, spontaneous emission of the electron beam in optical klystron, the harmonic super-radiation of the electron beam, and the effects of the undulator magnetic field error on modulation of the electron beam energy are simulated. These results are useful for the future experiments
Optical and theoretical studies of giant clouds in spiral galaxies
International Nuclear Information System (INIS)
Elmegreen, B.G.; Elmegreen, D.M.
1980-01-01
An optical study of four spiral galaxies, combined with radiative transfer models for transmitted and scattered light, has led to a determination of the opacities and masses of numerous dark patches and dust lanes that outline spiral structure. The observed compression factors for the spiral-like dust lanes are in accord with expectations from the theory of gas flow in spiral density waves. Several low density (10 2 cm -3 ) clouds containing 10 6 to 10 7 solar masses were also studied. These results are discussed in terms of recent theoretical models of cloud and star formation in spiral galaxies. The long-term evolution of giant molecular clouds is shown to have important consequences for the positions and ages of star formation sites in spiral arms. (Auth.)
Lansey, Eli
Optical or photonic metamaterials that operate in the infrared and visible frequency regimes show tremendous promise for solving problems in renewable energy, infrared imaging, and telecommunications. However, many of the theoretical and simulation techniques used at lower frequencies are not applicable to this higher-frequency regime. Furthermore, technological and financial limitations of photonic metamaterial fabrication increases the importance of reliable theoretical models and computational techniques for predicting the optical response of photonic metamaterials. This thesis focuses on aperture array metamaterials. That is, a rectangular, circular, or other shaped cavity or hole embedded in, or penetrating through a metal film. The research in the first portion of this dissertation reflects our interest in developing a fundamental, theoretical understanding of the behavior of light's interaction with these aperture arrays, specifically regarding enhanced optical transmission. We develop an approximate boundary condition for metals at optical frequencies, and a comprehensive, analytical explanation of the physics underlying this effect. These theoretical analyses are augmented by computational techniques in the second portion of this thesis, used both for verification of the theoretical work, and solving more complicated structures. Finally, the last portion of this thesis discusses the results from designing, fabricating and characterizing a light-splitting metamaterial.
Theoretical studies of binaries in astrophysics
Dischler, Johann Sebastian
This thesis introduces and summarizes four papers dealing with computer simulations of astrophysical processes involving binaries. The first part gives the rational and theoretical background to these papers. In paper I and II a statistical approach to studying eclipsing binaries is described. By using population synthesis models for binaries the probabilities for eclipses are calculated for different luminosity classes of binaries. These are compared with Hipparcos data and they agree well if one uses a standard input distribution for the orbit sizes. If one uses a random pairing model, where both companions are independently picked from an IMF, one finds too feclipsing binaries by an order of magnitude. In paper III we investigate a possible scenario for the origin of the stars observed close to the centre of our galaxy, called S stars. We propose that a cluster falls radially cowards the central black hole. The binaries within the cluster can then, if they have small impact parameters, be broken up by the black hole's tidal held and one of the components of the binary will be captured by the black hole. Paper IV investigates how the onset of mass transfer in eccentric binaries depends on the eccentricity. To do this we have developed a new two-phase SPH scheme where very light particles are at tire outer edge of our simulated star. This enables us to get a much better resolution of the very small mass that is transferred in close binaries. Our simulations show that the minimum required distance between the stars to have mass transfer decreases with the eccentricity.
Computational and theoretical studies of globular proteins
Pagan, Daniel L.
Protein crystallization is often achieved in experiment through a trial and error approach. To date, there exists a dearth of theoretical understanding of the initial conditions necessary to promote crystallization. While a better understanding of crystallization will help to create good crystals suitable for structure analysis, it will also allow us to prevent the onset of certain diseases. The core of this thesis is to model and, ultimately, understand the phase behavior of protein particles in solution. Toward this goal, we calculate the fluid-fluid coexistence curve in the vicinity of the metastable critical point of the modified Lennard-Jones potential, where it has been shown that nucleation is increased by many orders of magnitude. We use finite-size scaling techniques and grand canonical Monte Carlo simulation methods. This has allowed us to pinpoint the critical point and subcritical region with high accuracy in spite of the critical fluctuations that hinder sampling using other Monte Carlo techniques. We also attempt to model the phase behavior of the gamma-crystallins, mutations of which have been linked to genetic cataracts. The complete phase behavior of the square well potential at the ranges of attraction lambda = 1.15 and lambda = 1.25 is calculated and compared with that of the gammaII-crystallin. The role of solvent is also important in the crystallization process and affects the phase behavior of proteins in solution. We study a model that accounts for the contribution of the solvent free-energy to the free-energy of globular proteins. This model allows us to model phase behavior that includes solvent.
Theoretical and numerical analysis of reinforced concrete beams with confinement reinforcement
Directory of Open Access Journals (Sweden)
R. G. Delalibera
Full Text Available This paper discusses the use of confinement in over-reinforced concrete beams. This reinforcement consists of square stirrups, placed in the compression zone of the beam cross-section, in order to improve its ductility. A parametric numerical study is initially performed, using a finite element computational program that considers the material nonlinearities and the confinement effect. To investigate the influence of the transverse reinforcing ratio on the beam ductility, an experimental program was also conducted. Four over-reinforced beams were tested; three beam specimens with additional transverse reinforcement to confine the beams, and one without it. All specimens were fabricated with a concrete designed for a compressive strength of 25 MPa. The experimental results show that the post-peak ductility factor is proportional to the confining reinforcement ratio, however the same is not observed for the pre-peak ductility factor, which varied randomly with changes in the confining reinforcement ratio. It was also observed from the experiments that the confinement effect tends to be smaller close to the beam neutral axis.
Béres, Gábor; Weltsch, Zoltán; Lukács, Zsolt; Tisza, Miklós
2018-05-01
Forming limit is a complex concept of limit values related to the onset of local necking in the sheet metal. In cold sheet metal forming, major and minor limit strains are influenced by the sheet thickness, strain path (deformation history) as well as material parameters and microstructure. Forming Limit Curves are plotted in ɛ1 - ɛ2 coordinate system providing the classic strain-based Forming Limit Diagram (FLD). Using the appropriate constitutive model, the limit strains can be changed into the stress-based Forming Limit Diagram (SFLD), irrespective of the strain path. This study is about the effect of the hardening model parameters on defining of limit stress values during Nakazima tests for automotive dual phase (DP) steels. Five limit strain pairs were specified experimentally with the loading of five different sheet geometries, which performed different strain-paths from pure shear (-2ɛ2=ɛ1) up to biaxial stretching (ɛ2=ɛ1). The former works of Hill, Levy-Tyne and Keeler-Brazier made possible some kind of theoretical strain determination, too. This was followed by the stress calculation based on the experimental and theoretical strain data. Since the n exponent in the Nádai expression is varying with the strain at some DP steels, we applied the least-squares method to fit other hardening model parameters (Ludwik, Voce, Hockett-Sherby) to calculate the stress fields belonging to each limit strains. The results showed that each model parameters could produce some discrepancies between the limit stress states in the range of higher equivalent strains than uniaxial stretching. The calculated hardening models were imported to FE code to extend and validate the results by numerical simulations.
Numerical Studies of Homogenization under a Fast Cellular Flow
Iyer, Gautam
2012-09-13
We consider a two dimensional particle diffusing in the presence of a fast cellular flow confined to a finite domain. If the flow amplitude A is held fixed and the number of cells L 2 →∞, then the problem homogenizes; this has been well studied. Also well studied is the limit when L is fixed and A→∞. In this case the solution averages along stream lines. The double limit as both the flow amplitude A→∞and the number of cells L 2 →∞was recently studied [G. Iyer et al., preprint, arXiv:1108.0074]; one observes a sharp transition between the homogenization and averaging regimes occurring at A = L 2. This paper numerically studies a few theoretically unresolved aspects of this problem when both A and L are large that were left open in [G. Iyer et al., preprint, arXiv:1108.0074] using the numerical method devised in [G. A. Pavliotis, A. M. Stewart, and K. C. Zygalakis, J. Comput. Phys., 228 (2009), pp. 1030-1055]. Our treatment of the numerical method uses recent developments in the theory of modified equations for numerical integrators of stochastic differential equations [K. C. Zygalakis, SIAM J. Sci. Comput., 33 (2001), pp. 102-130]. © 2012 Society for Industrial and Applied Mathematics.
Numerical Studies of Homogenization under a Fast Cellular Flow
Iyer, Gautam; Zygalakis, Konstantinos C.
2012-01-01
We consider a two dimensional particle diffusing in the presence of a fast cellular flow confined to a finite domain. If the flow amplitude A is held fixed and the number of cells L 2 →∞, then the problem homogenizes; this has been well studied. Also well studied is the limit when L is fixed and A→∞. In this case the solution averages along stream lines. The double limit as both the flow amplitude A→∞and the number of cells L 2 →∞was recently studied [G. Iyer et al., preprint, arXiv:1108.0074]; one observes a sharp transition between the homogenization and averaging regimes occurring at A = L 2. This paper numerically studies a few theoretically unresolved aspects of this problem when both A and L are large that were left open in [G. Iyer et al., preprint, arXiv:1108.0074] using the numerical method devised in [G. A. Pavliotis, A. M. Stewart, and K. C. Zygalakis, J. Comput. Phys., 228 (2009), pp. 1030-1055]. Our treatment of the numerical method uses recent developments in the theory of modified equations for numerical integrators of stochastic differential equations [K. C. Zygalakis, SIAM J. Sci. Comput., 33 (2001), pp. 102-130]. © 2012 Society for Industrial and Applied Mathematics.
Theoretical Studies of Nanoclusters (Briefing Charts)
2015-07-23
nanoclusters. However, scanning transmission electron microscopy ( STEM ) measures show cluster inversion occurred to produce MgyCux(!) a) copper atoms b...methane (née CLL -1) as a potential explosive ingredient: a theoretical study”, Propellants, Explosives, Pyrotechnics 38, 9-13 (2013). Jesus Paulo L
Theoretical Studies in Elementary Particle Physics
Energy Technology Data Exchange (ETDEWEB)
Collins, John C.; Roiban, Radu S
2013-04-01
This final report summarizes work at Penn State University from June 1, 1990 to April 30, 2012. The work was in theoretical elementary particle physics. Many new results in perturbative QCD, in string theory, and in related areas were obtained, with a substantial impact on the experimental program.
Theoretical study of asymmetric super-rotors: Alignment and orientation
Omiste, Juan J.
2018-02-01
We report a theoretical study of the optical centrifuge acceleration of an asymmetric top molecule interacting with an electric static field by solving the time-dependent Schrödinger equation in the rigid rotor approximation. A detailed analysis of the mixing of the angular momentum in both the molecular and the laboratory fixed frames allows us to deepen the understanding of the main features of the acceleration process, for instance, the effective angular frequency of the molecule at the end of the pulse. For the case of the SO2 molecular super-rotor, we show numerically that it rotates around one internal axis and that its dynamics is confined to the plane defined by the polarization axis of the laser, in agreement with experimental findings. Furthermore, we consider the orientation patterns induced by the dc field, showing the characteristics of their structure as a function of the strength of the static field and the initial configuration of the fields.
DEFF Research Database (Denmark)
Chen, Min; Gao, Xin
2014-01-01
of the critical power point in the series and parallel TEM arrays. Secondly, experiments of a series-parallel hybrid interconnected TEG are presented to clearly quantify the theoretical analyses. Finally, the hierarchical simulation, based on the SPICE (simulation program with integrated circuit emphasis...
Numerical Study of Electric Field Enhanced Combustion
Han, Jie
2016-12-26
Electric fields can be used to change and control flame properties, for example changing flame speed, enhancing flame stability, or reducing pollutant emission. The ions generated in flames are believed to play the primary role. Although experiments have been carried out to study electric field enhanced combustion, they are not sufficient to explain how the ions in a flame are affected by an electric field. It is therefore necessary to investigate the problem through numerical simulations. In the present work, the electric structure of stabilized CH4/air premixed flames at atmospheric pressure within a direct current field is studied using numerical simulations. This study consists of three parts. First, the transport equations are derived from the Boltzmann kinetic equation for each individual species. Second, a general method for computing the diffusivity and mobility of ions in a gas mixture is introduced. Third, the mechanisms for neutral and charged species are improved to give better predictions of the concentrations of charged species, based on experimental data. Following from this, comprehensive numerical results are presented, including the concentrations and fluxes of charged species, the distributions of the electric field and electric potential, and the electric current-voltage relation. Two new concepts introduced with the numerical results are the plasma sheath and dead zone in the premixed flame. A reactive plasma sheath and a Boltzmann relation sheath are discovered in the region near the electrodes. The plasma sheath penetrates into the flame gas when a voltage is applied, and penetrating further if the voltage is higher. The zone outside the region of sheath penetration is defined as the dead zone. With the two concepts, analytical solutions for the electric field, electric potential and current-voltage curve are derived. The solutions directly describe the electric structure of a premixed flame subject to a DC field. These analytical solutions
Bertails-Descoubes, Florence; Derouet-Jourdan, Alexandre; Romero, Victor; Lazarus, Arnaud
2018-04-01
Solving the equations for Kirchhoff elastic rods has been widely explored for decades in mathematics, physics and computer science, with significant applications in the modelling of thin flexible structures such as DNA, hair or climbing plants. As demonstrated in previous experimental and theoretical studies, the natural curvature plays an important role in the equilibrium shape of a Kirchhoff rod, even in the simple case where the rod is isotropic and suspended under gravity. In this paper, we investigate the reverse problem: can we characterize the natural curvature of a suspended isotropic rod, given an equilibrium curve? We prove that although there exists an infinite number of natural curvatures that are compatible with the prescribed equilibrium, they are all equivalent in the sense that they correspond to a unique natural shape for the rod. This natural shape can be computed efficiently by solving in sequence three linear initial value problems, starting from any framing of the input curve. We provide several numerical experiments to illustrate this uniqueness result, and finally discuss its potential impact on non-invasive parameter estimation and inverse design of thin elastic rods.
A new theoretical basis for numerical simulations of nonlinear acoustic fields
Wójcik, Janusz
2000-07-01
Nonlinear acoustic equations can be considerably simplified. The presented model retains the accuracy of a more complex description of nonlinearity and a uniform description of near and far fields (in contrast to the KZK equation). A method has been presented for obtaining solutions of Kuznetsov's equation from the solutions of the model under consideration. Results of numerical calculations, including comparative ones, are presented.
Theoretical and Numerical Modeling of Transport of Land Use-Specific Fecal Source Identifiers
Bombardelli, F. A.; Sirikanchana, K. J.; Bae, S.; Wuertz, S.
2008-12-01
Microbial contamination in coastal and estuarine waters is of particular concern to public health officials. In this work, we advocate that well-formulated and developed mathematical and numerical transport models can be combined with modern molecular techniques in order to predict continuous concentrations of microbial indicators under diverse scenarios of interest, and that they can help in source identification of fecal pollution. As a proof of concept, we present initially the theory, numerical implementation and validation of one- and two-dimensional numerical models aimed at computing the distribution of fecal source identifiers in water bodies (based on Bacteroidales marker DNA sequences) coming from different land uses such as wildlife, livestock, humans, dogs or cats. These models have been developed to allow for source identification of fecal contamination in large bodies of water. We test the model predictions using diverse velocity fields and boundary conditions. Then, we present some preliminary results of an application of a three-dimensional water quality model to address the source of fecal contamination in the San Pablo Bay (SPB), United States, which constitutes an important sub-embayment of the San Francisco Bay. The transport equations for Bacteroidales include the processes of advection, diffusion, and decay of Bacteroidales. We discuss the validation of the developed models through comparisons of numerical results with field campaigns developed in the SPB. We determine the extent and importance of the contamination in the bay for two decay rates obtained from field observations, corresponding to total host-specific Bacteroidales DNA and host-specific viable Bacteroidales cells, respectively. Finally, we infer transport conditions in the SPB based on the numerical results, characterizing the fate of outflows coming from the Napa, Petaluma and Sonoma rivers.
Theoretical studies of Anderson impurity models
International Nuclear Information System (INIS)
Glossop, M.T.
2000-01-01
A Local Moment Approach (LMA) is developed for single-particle excitations of a symmetric single impurity Anderson model (SIAM) with a soft-gap hybridization vanishing at the Fermi level, Δ I ∝ vertical bar W vertical bar r with r > 0, and for the generic asymmetric case of the 'normal' (r = 0) SIAM. In all cases we work within a two-self-energy description with local moments introduced explicitly from the outset, and in which single-particle excitations are coupled dynamically to low-energy transverse spin fluctuations. For the soft-gap symmetric SIAM, the resultant theory is applicable on all energy scales, and captures both the spin-fluctuation regime of strong coupling (large-U), as well as the weak coupling regime where it is perturbatively exact for those r-domains in which perturbation theory in U is non-singular. While the primary emphasis is on single-particle dynamics, the quantum phase transition between strong coupling (SC) and local moment (LM) phases can also be addressed directly; for the spin-fluctuation regime in particular a number of asymptotically exact results are thereby obtained, notably for the behaviour of the critical U c (r) separating SC/LM states and the Kondo scale w m (r) characteristic of the SC phase. Results for both single-particle spectra and SG/LM phase boundaries are found to agree well with recent numerical renormalization group (NRG) studies; and a number of further testable predictions are made. Single-particle spectra are examined systematically for both SC and LM states; in particular, for all 0 ≤ r 0 SC phase which, in agreement with conclusions drawn from recent NRG work, may be viewed as a non-trivial but natural generalization of Fermi liquid physics. We also reinvestigate the problem via the NRG in light of the predictions arising from the LMA: all are borne out and excellent agreement is found. For the asymmetric single impurity Anderson model (ASIAM) we establish general conditions which must be satisfied
Theoretical and numerical analysis of auxiliary heating for cryogenic target fabrication
International Nuclear Information System (INIS)
Yang Xiaohu; Tian Chenglin; Yin Yan; Xu Han; Zhuo Hongbin
2008-01-01
In order to compensate for the nonspherical-symmetric heat flux in the hohlraum, auxiliary heating is usually applied to the outside wall of the hohlraum during the cooling process. A one-dimensional heat exchange theoretical model has been proposed in the indirect-drive target, to analyze the required auxiliary heat flux. With a two dimensional axisymmetric model, the auxiliary heating mechanism has been simulated by FLUENT code. The optimum heat flux which is 635 W/m 2 has been obtained as the heaters around the outside of the hohlraum about 1.3 mm above and below the mid-plane. The result is in good agreement with the theoretical model. (authors)
International Nuclear Information System (INIS)
Marinari, E.; Zuliani, F.; Parisi, G.; Ricci-Tersenghi, F.; Ruiz-Lorenzo, J.J.
2000-04-01
We discuss Replica Symmetry Breaking (RSB) in Spin Glasses. We present an update about the state of the matter, both from the analytical and from the numerical point of view. We put a particular attention in discussing the difficulties stressed by Newman and Stein concerning the problem of constructing pure states in spin glass systems. We mainly discuss about what happens in finite dimensional, realistic spin glasses. Together with a detailed review of some of most important features, facts, data, phenomena, we present some new theoretical ideas and numerical results. We discuss among others the basic idea of the RSB theory, correlation functions, interfaces, overlaps, pure states, random field and the dynamical approach. We present new numerical results for the behavior of coupled replicas and about the numerical verification of sum rules, and we review some of the available numerical results that we consider of larger importance (for example the determination of the phase transition point, the correlation functions, the window overlaps, the dynamical behavior of the system). (author)
Theoretical studies in elementary particle physics
International Nuclear Information System (INIS)
Collins, J.
1994-01-01
This is a report on research conducted at Penn State University under grant number DE-FG02-90ER-40577, from November 1992 to present. The author is a member of the CTEQ collaboration (Coordinated Theoretical and Experimental Project on Quantitative QCD). Some of the work in CTEQ is described in this report. Topics which the authors work has touched include: polarized hard scattering; hard diffraction; small x and perturbative pomeron physics; gauge-invariant operators; fundamental QCD; heavy quarks; instantons and deep inelastic scattering; non-perturbative corrections to τ decay
Studies in theoretical high energy particle physics
International Nuclear Information System (INIS)
Aratyn, H.; Brekke, L.; Keung, Wai-Yee; Sukhatme, U.
1993-01-01
Theoretical work on the following topics is briefly summarized: symmetry structure of conformal affine Toda model and KP hierarchy; solitons in the affine Toda and conformal affine Toda models; classical r-matrices and Poisson bracket structures on infinite-dimensional groups; R-matrix formulation of KP hierarchies and their gauge equivalence; statistics of particles and solitons; charge quantization in the presence of an Alice string; knotting and linking of nonabelian flux; electric dipole moments; neutrino physics in gauge theories; CP violation in the high energy colliders; supersymmetric quantum mechanics; parton structure functions in nuclei; dual parton model. 38 refs
Optical activity in planar chiral metamaterials: Theoretical study
International Nuclear Information System (INIS)
Bai, Benfeng; Svirko, Yuri; Turunen, Jari; Vallius, Tuomas
2007-01-01
A thorough theoretical study of the optical activity in planar chiral metamaterial (PCM) structures, made of both dielectric and metallic media, is conducted by the analysis of gammadion-shaped nanoparticle arrays. The general polarization properties are first analyzed from an effective-medium perspective, by analogy with natural optical activity, and then verified by rigorous numerical simulation, some of which are corroborated by previous experimental results. The numerical analysis suggests that giant polarization rotation (tens of degrees) may be achieved in the PCM structures with a thickness of only hundreds of nanometers. The artificial optical activity arises from circular birefringence induced by the structural chirality and is enhanced by the guided-mode or surface-plasmon resonances taking place in the structures. There are two polarization conversion types in the dielectric PCMs, whereas only one type in the metallic ones. Many intriguing features of the polarization property of PCMs are also revealed and explained: the polarization effect is reciprocal and vanishes in the symmetrically layered structures; the effect occurs only in the transmitted field, but not in the reflected field; and the polarization spectra of two enantiomeric PCM structures are mirror symmetric to each other. These remarkable properties pave the way for the PCMs to be used as polarization elements in new-generation integrated optical systems
International Nuclear Information System (INIS)
Kako, T.; Watanabe, T.
1999-04-01
This is the proceeding of 'Study on Numerical Methods Related to Plasma Confinement' held in National Institute for Fusion Science. In this workshop, theoretical and numerical analyses of possible plasma equilibria with their stability properties are presented. These are also various talks on mathematical as well as numerical analyses related to the computational methods for fluid dynamics and plasma physics. The 14 papers are indexed individually. (J.P.N.)
Energy Technology Data Exchange (ETDEWEB)
Kako, T.; Watanabe, T. [eds.
1999-04-01
This is the proceeding of 'Study on Numerical Methods Related to Plasma Confinement' held in National Institute for Fusion Science. In this workshop, theoretical and numerical analyses of possible plasma equilibria with their stability properties are presented. These are also various talks on mathematical as well as numerical analyses related to the computational methods for fluid dynamics and plasma physics. The 14 papers are indexed individually. (J.P.N.)
Numerical study of droplet evaporation in an acoustic levitator
Bänsch, Eberhard; Götz, Michael
2018-03-01
We present a finite element method for the simulation of all relevant processes of the evaporation of a liquid droplet suspended in an acoustic levitation device. The mathematical model and the numerical implementation take into account heat and mass transfer across the interface between the liquid and gaseous phase and the influence of acoustic streaming on this process, as well as the displacement and deformation of the droplet due to acoustic radiation pressure. We apply this numerical method to several theoretical and experimental examples and compare our results with the well-known d2-law for the evaporation of spherical droplets and with theoretical predictions for the acoustic streaming velocity. We study the influence of acoustic streaming on the distribution of water vapor and temperature in the levitation device, with special attention to the vapor distribution in the emerging toroidal vortices. We also compare the evaporation rate of a droplet with and without acoustic streaming, as well as the evaporation rates in dependence of different temperatures and sound pressure levels. Finally, a simple model of protein inactivation due to heat damage is considered and studied for different evaporation settings and their respective influence on protein damage.
Theoretical and numerical investigations of inverse patchy colloids in the fluid phase
International Nuclear Information System (INIS)
Kalyuzhnyi, Yurij V.; Bianchi, Emanuela; Ferrari, Silvano; Kahl, Gerhard
2015-01-01
We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter sized particles with differently charged surface regions. We extend conventional integral equation schemes to this particular class of systems: our approach is based on the so-called multi-density Ornstein-Zernike equation, supplemented with the associative Percus-Yevick approximation (APY). To validate the accuracy of our framework, we compare the obtained results with data extracted from NpT and NVT Monte Carlo simulations. In addition, other theoretical approaches are used to calculate the properties of the system: the reference hypernetted-chain (RHNC) method and the Barker-Henderson thermodynamic perturbation theory. Both APY and RHNC frameworks provide accurate predictions for the pair distribution functions: APY results are in slightly better agreement with MC data, in particular at lower temperatures where the RHNC solution does not converge
Numerical study of jets secondary instabilities
International Nuclear Information System (INIS)
Brancher, Pierre
1996-01-01
The work presented in this dissertation is a contribution to the study of the transition to turbulence in open shear flows. Results from direct numerical simulations are interpreted within the framework of hydrodynamic stability theory. The first chapter is an introduction to the primary and secondary instabilities observed in jets and mixing layers. The numerical method used in the present study is detailed in the second chapter. The dynamics of homogeneous circular jets subjected to stream wise and azimuthal perturbations are investigated in the third chapter. A complete scenario describing the evolution of the jet is proposed with emphasis on the dynamics of vorticity within the flow. In the fourth chapter a parametric study reveals a three-dimensional secondary instability mainly controlled in the linear regime by the Strouhal number of the primary instability. In the nonlinear regime the dynamics of the azimuthal harmonies are described by means of model equations and are linked to the formation of stream wise vortices in the braid. The fifth chapter is dedicated to the convective or absolute nature of the secondary instabilities in plane shear layers. It is shown that there are flow configurations for which the two-dimensional secondary instability (pairing) is absolute even though the primary instability (Kelvin-Helmholtz) is convective. Some preliminary results concerning the three-dimensional secondary instabilities arc presented at the end of this chapter. The last chapter summarizes the main results and examines possible extensions of this work. (author) [fr
Studies in Theoretical and Applied Statistics
Pratesi, Monica; Ruiz-Gazen, Anne
2018-01-01
This book includes a wide selection of the papers presented at the 48th Scientific Meeting of the Italian Statistical Society (SIS2016), held in Salerno on 8-10 June 2016. Covering a wide variety of topics ranging from modern data sources and survey design issues to measuring sustainable development, it provides a comprehensive overview of the current Italian scientific research in the fields of open data and big data in public administration and official statistics, survey sampling, ordinal and symbolic data, statistical models and methods for network data, time series forecasting, spatial analysis, environmental statistics, economic and financial data analysis, statistics in the education system, and sustainable development. Intended for researchers interested in theoretical and empirical issues, this volume provides interesting starting points for further research.
Energy Technology Data Exchange (ETDEWEB)
Babailov, S. P., E-mail: babajlov@niic.nsc.ru [A. V. Nikolaevs Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk (Russian Federation); National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050 (Russian Federation); Purtov, P. A. [Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Insitutskaya 3, 630090 Novosibirsk (Russian Federation); Fomin, E. S. [Institute of Cytology and Genetics of the Siberian Branch of the Russian Academy of Sciences, Av. Lavrentyev 10, 630090 Novosibirsk (Russian Federation)
2016-08-07
An expression has been derived for the time dependence of the NMR line shape for systems with multi-site chemical exchange in the absence of spin-spin coupling, in a zero saturation limit. The dynamics of variation of the NMR line shape with time is considered in detail for the case of two-site chemical exchange. Mathematical programs have been designed for numerical simulation of the NMR spectra of chemical exchange systems. The analytical expressions obtained are useful for NMR line shape simulations for systems with photoinduced chemical exchange.
Numerical study of nonspherical black hole accretion
International Nuclear Information System (INIS)
Hawley, J.F.
1984-01-01
This thesis describes in detail a two-dimensional, axisymmetric computer code for calculating fully relativistic ideal gas hydrodynamics around a Kerr black hole. The aim is to study fully dynamic inviscid fluid accretion onto black holes, as well as to study the evolution and development of nonlinear instabilities in pressure supported accretion disks. In order to fully calibrate and document the code, certain analytic solutions for shock tubes and special accretion flows are derived; these solutions form the basis for code testing. The numerical techniques used are developed and discussed. A variety of alternate differencing schemes are compared on an analytic test bed. Some discussion is devoted to general issues in finite differencing. The working code is calibrated using analytically solvable accretion problems, including the radial accretion of dust and of fluid with pressure (Bondi accretion). Two dimensional test problems include the spiraling infall of low angular momentum fluid, the formation of a pressure supported torus, and the stable evolution of a torus. A series of numerical models are discussed and illustrated with selected plots
Theoretical and numerical investigations into the SPRT method for anomaly detection
Energy Technology Data Exchange (ETDEWEB)
Schoonewelle, H.; Hagen, T.H.J.J. van der; Hoogenboom, J.E. [Interuniversitair Reactor Inst., Delft (Netherlands)
1995-11-01
The sequential probability ratio test developed by Wald is a powerful method of testing an alternative hypothesis against a null hypothesis. This makes the method applicable for anomaly detection. In this paper the method is used to detect a change of the standard deviation of a Gaussian distributed white noise signal. The false alarm probability, the alarm failure probability and the average time to alarm of the method, which are important parameters for anomaly detection, are determined by simulation and compared with theoretical results. Each of the three parameters is presented in dependence of the other two and the ratio of the standard deviation of the anomalous signal and that of the normal signal. Results show that the method is very well suited for anomaly detection. It can detect for example a 50% change in standard deviation within 1 second with a false alarm and alarm failure rate of less than once per month. (author).
Theoretical and numerical investigations into the SPRT method for anomaly detection
International Nuclear Information System (INIS)
Schoonewelle, H.; Hagen, T.H.J.J. van der; Hoogenboom, J.E.
1995-01-01
The sequential probability ratio test developed by Wald is a powerful method of testing an alternative hypothesis against a null hypothesis. This makes the method applicable for anomaly detection. In this paper the method is used to detect a change of the standard deviation of a Gaussian distributed white noise signal. The false alarm probability, the alarm failure probability and the average time to alarm of the method, which are important parameters for anomaly detection, are determined by simulation and compared with theoretical results. Each of the three parameters is presented in dependence of the other two and the ratio of the standard deviation of the anomalous signal and that of the normal signal. Results show that the method is very well suited for anomaly detection. It can detect for example a 50% change in standard deviation within 1 second with a false alarm and alarm failure rate of less than once per month. (author)
Theoretical Semi-Empirical AM1 studies of Schiff Bases
International Nuclear Information System (INIS)
Arora, K.; Burman, K.
2005-01-01
The present communication reports the theoretical semi-empirical studies of schiff bases of 2-amino pyridine along with their comparison with their parent compounds. Theoretical studies reveal that it is the azomethine group, in the schiff bases under study, that acts as site for coordination to metals as it is reported by many coordination chemists. (author)
Energy Technology Data Exchange (ETDEWEB)
Xie, Wei, E-mail: cslggncl@163.com [Key Laboratory of Safety Design and Reliability Technology for Engineering Vehicle, Hunan Province, Changsha University of Science and Technology, Changsha 410114 (China); Hunan Province Higher Education Key Laboratory of Modeling and Monitoring on the Near-Earth Electromagnetic Environments, Changsha University of Science & Technology, Changsha 410114 (China); College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Chemical and Biomolecular Engineering Department, University of Tennessee, Knoxville, TN 37996 (United States); Zhu, Xukun; Kuang, Jiacai [Key Laboratory of Safety Design and Reliability Technology for Engineering Vehicle, Hunan Province, Changsha University of Science and Technology, Changsha 410114 (China); Hunan Province Higher Education Key Laboratory of Modeling and Monitoring on the Near-Earth Electromagnetic Environments, Changsha University of Science & Technology, Changsha 410114 (China); Yi, Shihe; Cheng, Haifeng [College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Guo, Zhanhu; He, Qingliang [Chemical and Biomolecular Engineering Department, University of Tennessee, Knoxville, TN 37996 (United States)
2017-06-15
Highlights: • Theoretical formula and calculation results of effective permeability and effective permittivity of the Fe-C coaxial fiber are obtained based on the Maxwell equation. • The coaxial fiber has stronger anisotropy and better electromagnetic dissipation performance than the hollow carbon fiber and solid iron fiber with the same volume content. • Greater conductivity, larger aspect ratio, thin iron shell play important roles to improve the electromagnetic matching ability and microwave attenuation for the Fe-C coaxial fibers. - Abstract: Based on the Maxwell equation, the electromagnetic model in the coaxial fiber was described. The interaction with electromagnetic wave was analysed and the theoretical formula of axial permeability (μ{sub ∥}), axial permittivity (ε{sub ∥}), radial permeability (μ{sub ⊥}) and radial permittivity (ε{sub ⊥}) of Fe-C coaxial fiber were derived, and the demagnetization factor (N) of fibrous material was revised. Calculation results indicate that the composite fiber has stronger anisotropy and better EM dissipation performance than the hollow carbon fiber and solid iron fiber with the same volume content. These properties can be enhanced through increasing aspect ratio and carbon content. The μ{sub ‖} is 5.18-4.46i, μ{sub ⊥} is 2.58-0.50i, ε{sub ∥} is 7.63-6.97i, and ε{sub ⊥} is 1.98-0.15i when the electromagnetic wave frequency is 5 GHz with the outer diameter of 0.866 μm, inner diameter of 0.500 μm, and length of 20 μm. The maximum of the imaginary part of μ{sub ∥} and ε{sub ∥} are much larger than that of μ{sub ⊥} and ε{sub ⊥} when the structural parameters change, and the maximum of μ{sub ∥} and ε{sub ∥} can reach 6.429 and 23.59. Simulation results show that greater conductivity, larger aspect ratio, thin iron shell play important roles to improve the electromagnetic matching ability and microwave attenuation for the Fe-C coaxial fibers.
Theoretical analysis and numerical simulation of Parrondo's paradox game in space
International Nuclear Information System (INIS)
Xie Nenggang; Chen Yun; Ye Ye; Xu Gang; Wang Lingang; Wang Chao
2011-01-01
Highlights: → A multi-agent spatial Parrondo game model is designed. → Double actions between individual and its neighbors are discussed. → The weak and strong paradox conditions are established by theoretical analysis. → Research results demonstrate some new biological points. → Competition is an adaptive behavior on the population level too. - Abstract: A multi-agent spatial Parrondo game model is designed according to the cooperative Parrondo's paradox proposed by Toral. The model is composed of game A and game B. Game A is a zero-sum game between individuals, reflecting competitive interaction between an individual and its neighbors. The winning or losing probability of one individual in game B depends on its neighbors' winning or losing states, reflecting the dependence that individuals has on microhabitat and the overall constraints that the microhabitat has on individuals. By using the analytical approach based on discrete-time Markov chain, we analyze game A, game B and the random combination of game A+B, and obtain corresponding stationary distribution probability and mathematical expectations. We have established conditions of the weak and strong forms of the Parrondo effect, and compared the computer simulation results with the analytical results so as to verify their validity. The analytical results reflect that competition results in the ratchet effect of game B, which generates Parrondo's Paradox that the combination of the losing games can produce a winning result.
Theoretical analysis and numerical simulation of Parrondo's paradox game in space
Energy Technology Data Exchange (ETDEWEB)
Xie Nenggang, E-mail: xienenggang@yahoo.com.cn [School of Mechanical Engineering, Anhui University of Technology, Maanshan, Anhui Province 243002 (China); Chen Yun; Ye Ye; Xu Gang; Wang Lingang; Wang Chao [School of Mechanical Engineering, Anhui University of Technology, Maanshan, Anhui Province 243002 (China)
2011-06-15
Highlights: > A multi-agent spatial Parrondo game model is designed. > Double actions between individual and its neighbors are discussed. > The weak and strong paradox conditions are established by theoretical analysis. > Research results demonstrate some new biological points. > Competition is an adaptive behavior on the population level too. - Abstract: A multi-agent spatial Parrondo game model is designed according to the cooperative Parrondo's paradox proposed by Toral. The model is composed of game A and game B. Game A is a zero-sum game between individuals, reflecting competitive interaction between an individual and its neighbors. The winning or losing probability of one individual in game B depends on its neighbors' winning or losing states, reflecting the dependence that individuals has on microhabitat and the overall constraints that the microhabitat has on individuals. By using the analytical approach based on discrete-time Markov chain, we analyze game A, game B and the random combination of game A+B, and obtain corresponding stationary distribution probability and mathematical expectations. We have established conditions of the weak and strong forms of the Parrondo effect, and compared the computer simulation results with the analytical results so as to verify their validity. The analytical results reflect that competition results in the ratchet effect of game B, which generates Parrondo's Paradox that the combination of the losing games can produce a winning result.
High energy gravitational scattering: a numerical study
Marchesini, Giuseppe
2008-01-01
The S-matrix in gravitational high energy scattering is computed from the region of large impact parameters b down to the regime where classical gravitational collapse is expected to occur. By solving the equation of an effective action introduced by Amati, Ciafaloni and Veneziano we find that the perturbative expansion around the leading eikonal result diverges at a critical value signalling the onset of a new regime. We then discuss the main features of our explicitly unitary S-matrix down to the Schwarzschild's radius R=2G s^(1/2), where it diverges at a critical value b ~ 2.22 R of the impact parameter. The nature of the singularity is studied with particular attention to the scaling behaviour of various observables at the transition. The numerical approach is validated by reproducing the known exact solution in the axially symmetric case to high accuracy.
Capdeville, Yann; Métivier, Ludovic
2018-05-01
Seismic imaging is an efficient tool to investigate the Earth interior. Many of the different imaging techniques currently used, including the so-called full waveform inversion (FWI), are based on limited frequency band data. Such data are not sensitive to the true earth model, but to a smooth version of it. This smooth version can be related to the true model by the homogenization technique. Homogenization for wave propagation in deterministic media with no scale separation, such as geological media, has been recently developed. With such an asymptotic theory, it is possible to compute an effective medium valid for a given frequency band such that effective waveforms and true waveforms are the same up to a controlled error. In this work we make the link between limited frequency band inversion, mainly FWI, and homogenization. We establish the relation between a true model and an FWI result model. This relation is important for a proper interpretation of FWI images. We numerically illustrate, in the 2-D case, that an FWI result is at best the homogenized version of the true model. Moreover, it appears that the homogenized FWI model is quite independent of the FWI parametrization, as long as it has enough degrees of freedom. In particular, inverting for the full elastic tensor is, in each of our tests, always a good choice. We show how the homogenization can help to understand FWI behaviour and help to improve its robustness and convergence by efficiently constraining the solution space of the inverse problem.
Theoretical Studies of Hydrogen Storage Alloys.
Energy Technology Data Exchange (ETDEWEB)
Jonsson, Hannes
2012-03-22
Theoretical calculations were carried out to search for lightweight alloys that can be used to reversibly store hydrogen in mobile applications, such as automobiles. Our primary focus was on magnesium based alloys. While MgH{sub 2} is in many respects a promising hydrogen storage material, there are two serious problems which need to be solved in order to make it useful: (i) the binding energy of the hydrogen atoms in the hydride is too large, causing the release temperature to be too high, and (ii) the diffusion of hydrogen through the hydride is so slow that loading of hydrogen into the metal takes much too long. In the first year of the project, we found that the addition of ca. 15% of aluminum decreases the binding energy to the hydrogen to the target value of 0.25 eV which corresponds to release of 1 bar hydrogen gas at 100 degrees C. Also, the addition of ca. 15% of transition metal atoms, such as Ti or V, reduces the formation energy of interstitial H-atoms making the diffusion of H-atoms through the hydride more than ten orders of magnitude faster at room temperature. In the second year of the project, several calculations of alloys of magnesium with various other transition metals were carried out and systematic trends in stability, hydrogen binding energy and diffusivity established. Some calculations of ternary alloys and their hydrides were also carried out, for example of Mg{sub 6}AlTiH{sub 16}. It was found that the binding energy reduction due to the addition of aluminum and increased diffusivity due to the addition of a transition metal are both effective at the same time. This material would in principle work well for hydrogen storage but it is, unfortunately, unstable with respect to phase separation. A search was made for a ternary alloy of this type where both the alloy and the corresponding hydride are stable. Promising results were obtained by including Zn in the alloy.
Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions
Energy Technology Data Exchange (ETDEWEB)
Allen, Wesley D. [University of Georgia, Department of Chemistry and Center for Computational Quantum Chemistry; Schaefer, Henry F. [University of Georgia, Center for Computational Quantum Chemistry
2018-04-08
The research program supported by this DOE grant carried out both methodological development and computational applications of first-principles theoretical chemistry based on quantum mechanical wavefunctions, as directed toward understanding and harnessing the fundamental chemical physics of combustion. To build and refine the world’s database of thermochemistry, spectroscopy, and chemical kinetics, predictive and definitive computational methods are needed that push the envelope of modern electronic structure theory. The application of such methods has been made to gain comprehensive knowledge of the paradigmatic reaction networks by which the n- and i-propyl, t-butyl, and n-butyl radicals are oxidized by O_{2}. Numerous ROO and QOOH intermediates in these R + O_{2} reaction systems have been characterized along with the interconnecting isomerization transition states and the barriers leading to fragmentation. Other combustion-related intermediates have also been studied, including methylsulfinyl radical, cyclobutylidene, and radicals derived from acetaldehyde and vinyl alcohol. Theoretical advances have been achieved and made available to the scientific community by implementation into PSI4, an open-source electronic structure computer package emphasizing automation, advanced libraries, and interoperability. We have pursued the development of universal explicitly correlated methods applicable to general electronic wavefunctions, as well as a framework that allows multideterminant reference functions to be expressed as a single determinant from quasiparticle operators. Finally, a rigorous analytical tool for correlated wavefunctions has been created to elucidate dispersion interactions, which play essential roles in many areas of chemistry, but whose effects are often masked and enigmatic. Our research decomposes and analyzes the coupled-cluster electron correlation energy in molecular systems as a function of interelectronic distance. Concepts
Theoretical studies of controlled fusion: Final report
International Nuclear Information System (INIS)
Krall, N.A.
1987-01-01
This report summarizes the results of a study of low frequency stability in the Field Reversed Configuration (FRC), with emphasis on the transport resulting from this stability behavior. 11 refs., 5 figs., 2 tabs
Theoretical Studies of Small-System Thermodynamics in Energetic Materials
2016-01-06
SECURITY CLASSIFICATION OF: This is a comprehensive theoretical research program to investigate the fundamental principles of small-system thermodynamics ...a.k.a. nanothermodynamics). The proposed work is motivated by our desire to better understand the fundamental dynamics and thermodynamics of...for Public Release; Distribution Unlimited Final Report: Theoretical Studies of Small-System Thermodynamics in Energetic Materials The views, opinions
National Research Council Canada - National Science Library
Wang, Qi
2008-01-01
.... The project aimed to study the mesoscopic structure formation during flow processing and the corresponding rheological consequence leading to characterization of material properties in solid states...
Global Leadership Study: A Theoretical Framework
Perkins, Anne W.
2009-01-01
Traditional leadership theory and research courses do not adequately prepare students for cross-cultural leadership. This article notes six premises of Western theories and demonstrates the limitations of these premises in non-Western settings. A framework for the study of cross-cultural leadership, The Global Leadership-Learning Pyramid, is…
Numerical study of fractional nonlinear Schrodinger equations
Klein, Christian; Sparber, Christof; Markowich, Peter A.
2014-01-01
Using a Fourier spectral method, we provide a detailed numerical investigation of dispersive Schrödinger-type equations involving a fractional Laplacian in an one-dimensional case. By an appropriate choice of the dispersive exponent, both mass
Theoretical and experimental studies of elementary particles
International Nuclear Information System (INIS)
Bodek, A.; Ferbel, T.; Melissinos, A.C.; Olsen, S.L.; Slattery, P.; Tipton, P.; Das, A.; Hagen, C.R.; Rajeev, S.G.; Okubo, S.
1991-01-01
This report discusses: Fixed target experimentation at Fermilab; the D-zero collider experiment at Fermilab; deep inelastic lepton nucleon scattering; non-accelerator experiments and non-linear QED; the AMY experiment at TRISTAN and other activities at KEK; the collider detector at Fermilab; laser switched linac; preparations for experiments at the SSC; search for massive stable particles; and the Advanced Study Institute on techniques and concepts of high energy physics
International Nuclear Information System (INIS)
Reivinen, M.; Freund, J.; Eloranta, E.
1996-08-01
The aim of the study is to model the geodynamic response of a ground rock block under horizontal stresses and also consider the thermal fields and deformations, especially on the ground surface, caused by the heat produced by nuclear waste. (12 refs.)
Fragmentation of atomic clusters: A theoretical study
International Nuclear Information System (INIS)
Lopez, M.J.; Jellinek, J.
1994-01-01
Collisionless fragmentation of nonrotating model n-atom metal clusters (n=12, 13, and 14) is studied using isoergic molecular-dynamics simulations. Minimum-energy paths for fragmentation are mapped out as functions of the distance between the centers of mass of the fragments. These paths provide information on the fragmentation energies for the different fragmentation channels. Fragmentation patterns (distributions of the fragmentation channel probabilities) and global and channel-specific fragmentation rate constants are computed and analyzed as functions of the internal energy and of the size of the clusters. The trends derived from the dynamics are compared with those obtained using the RRK and TST statistical approaches. The dynamics of the fragmentation process is analyzed in terms of characteristic quantities such as the distance between the centers of mass of the fragments, their relative translational energy, and their interaction energy, all considered as functions of time
A theoretical study of hydrodynamic cavitation.
Arrojo, S; Benito, Y
2008-03-01
The optimization of hydrodynamic cavitation as an AOP requires identifying the key parameters and studying their effects on the process. Specific simulations of hydrodynamic bubbles reveal that time scales play a major role on the process. Rarefaction/compression periods generate a number of opposing effects which have demonstrated to be quantitatively different from those found in ultrasonic cavitation. Hydrodynamic cavitation can be upscaled and offers an energy efficient way of generating cavitation. On the other hand, the large characteristic time scales hinder bubble collapse and generate a low number of cavitation cycles per unit time. By controlling the pressure pulse through a flexible cavitation chamber design these limitations can be partially compensated. The chemical processes promoted by this technique are also different from those found in ultrasonic cavitation. Properties such as volatility or hydrophobicity determine the potential applicability of HC and therefore have to be taken into account.
Prompt radiation activation analysis, (1) Theoretical study
International Nuclear Information System (INIS)
EL Barouni, A. M.; Araddad, S. Y.; Mosbah, D. S.; Elfakhri, S. M.; Rateb, J. M.; Benghzail, M. A.
2004-01-01
The measurement of the prompt γ following neutron capture in the reaction has been extensively developed. In this method the gamma-ray intensity is depended only upon the radiative capture cross-section and not upon the half-life of the product nucleus. The prompt gamma-ray activation analysis method stems from the radiative capture process which results in the decay of the compound nucleus by the emission of characteristic gamma radiation, either as a single photon with kinetic energy equal to the excitation energy less the recoil energy or, more likely, by a cascade of two or more photons with the same energy. The equations and the computer program required to calculate the yield, the intensity and the K χ emission probability per disintegration, are given in this study.(author)
Theoretical studies of controlled fusion: Final report
International Nuclear Information System (INIS)
Krall, N.A.
1987-01-01
This report summarizes the results of a study of low frequency stability in the Field Reversed Configuration (FRC), with emphasis on the transport resulting from this stability behavior. Anomalous transport plays an obvious role in the confinement physics of the Field Reversed Configuration. Other anomalies are also observed, including an apparent absence of MHD instability and, in some cases, of lower-hybrid-drift instability. In current FRC experiments at LANL and Spectra Technology, particle, energy, and magnetic flux loss are observed to differ from classical prediction, both in size and in scaling. Early models proposed to explain that transport properties were based on anomalous radial loss of plasma particles in the vicinity of the separatrix between closed and open field lines produced by lower-hybrid instabilities. Our present work has shown that low frequency drift waves were also unstable in FRC, and produce energy and flux loss consistent with observation. 11 refs., 5 figs., 2 tabs
Theoretical study of fission dynamics with muons
International Nuclear Information System (INIS)
Oberacker, V.E.; Umar, A.S.; Bottcher, C.; Strayer, M.R.; Maruhn, J.A.; Frankfurt Univ.
1992-01-01
Following muon capture by actinide atoms, some of the inner shell muonic transitions proceed by inverse internal conversion, i.e. the excitation energy of the muonic atom is transferred to the nucleus. In particular, the muonic E2:(3d→1s) transition energy is close to the peak of the isoscalar giant quadrupole resonance in actinide nuclei which exhibits a large fission width. Prompt fission in the presence of a bound muon allows us to study the dynamics of large-amplitude collective motion. We solve the time-dependent Dirac equation for the muonic spinor wave function in the Coulomb field of the fissioning nucleus on a 3-dimensional lattice and demonstrate that the muon attachment probability to the light fission fragment is a measure of the nuclear energy dissipation between the outer fission barrier and the scission point
Theoretical studies of homogeneous catalysts mimicking nitrogenase.
Sgrignani, Jacopo; Franco, Duvan; Magistrato, Alessandra
2011-01-10
The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen 'fixation' via an iron molybdenum cofactor (FeMo-co) under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N₂ to various degrees. However, to date Mo(N₂)(HIPTN)₃N with (HIPTN)₃N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N₂. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.
Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase
Directory of Open Access Journals (Sweden)
Alessandra Magistrato
2011-01-01
Full Text Available The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen ‘fixation’ via an iron molybdenum cofactor (FeMo-co under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N2 to various degrees. However, to date Mo(N2(HIPTN3N with (HIPTN3N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N2. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.
Theoretical study of cisplatin adsorption on silica
Energy Technology Data Exchange (ETDEWEB)
Simonetti, S., E-mail: ssimonet@uns.edu.ar [Departamento de Fisica and IFISUR, Universidad Nacional del Sur-CONICET, Av. Alem 1253, 8000 Bahia Blanca (Argentina); Departamentos de Ciencias Basicas e Ingenieria Mecanica, Universidad Tecnologica Nacional, 11 de Abril 461, 8000 Bahia Blanca (Argentina); Company, A. Diaz; Brizuela, G.; Juan, A. [Departamento de Fisica and IFISUR, Universidad Nacional del Sur-CONICET, Av. Alem 1253, 8000 Bahia Blanca (Argentina)
2011-11-15
The adsorption of cisplatin and its complexes, cis-[PtCl(NH{sub 3}){sub 2}]{sup +} and cis-[Pt(NH{sub 3}){sub 2}]{sup 2+}, on a SiO{sub 2}(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule-surface interactions are formed at expenses of the OH surface bonds. The more important interactions are the Cl-H bond for cis-[PtCl{sub 2}(NH{sub 3}){sub 2}] and cis-[PtCl(NH{sub 3}){sub 2}]{sup +} adsorptions, and the Pt-O interaction for cis-[Pt(NH{sub 3}){sub 2}]{sup 2+} adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds.
GLOBAL SOURCING: A THEORETICAL STUDY ON TURKEY
Directory of Open Access Journals (Sweden)
Aytac GOKMEN
2010-07-01
Full Text Available Global sourcing is to source from the global market for goods and services across national boundaries in order to take advantage of the global efficiencies in the delivery of a product or service. Such efficiencies are consists of low cost skilled labor, low cost raw materials and other economic factors like tax breaks and deductions as well as low trade tariffs. When we assess the case regarding to Turkey, global sourcing is an effective device for some firms. The domestic firms in Turkey at various industries are inclined to global source finished or intermediate goods from the world markets, finish the production process in Turkey and export. Eventually, on the one hand the export volume of Turkey increases, but on the other hand the import of a considerable volume of finished or intermediate goods bring about a negative trade balance and loss of jobs in Turkey. Therefore, the objective of this study is to assess the concept of global sourcing transactions on Turkey resting on comprehensive publications.
Theoretical studies of solar pumped lasers
Harries, Wynford L.
1990-01-01
One concept for collecting solar energy is to use large solar collectors and then use lasers as energy converters whose output beams act as transmission lines to deliver the energy to a destination. The efficiency of the process would be improved if the conversion could be done directly using solar pumped lasers, and the possibility of making such lasers is studied. There are many applications for such lasers, and these are examined. By including the applications first, the requirements for the lasers will be more evident. They are especially applicable to the Space program, and include cases where no other methods of delivering power seem possible. Using the lasers for conveying information and surveillance is also discussed. Many difficulties confront the designer of an efficient system for power conversion. These involve the nature of the solar spectrum, the method of absorbing the energy, the transfer of power into laser beams, and finally, the far field patterns of the beams. The requirements of the lasers are discussed. Specific laser configurations are discussed. The thrust is into gas laser systems, because for space applications, the laser could be large, and also the medium would be uniform and not subject to thermal stresses. Dye and solid lasers are treated briefly. For gas lasers, a chart of the various possibilities is shown, and the various families of gas lasers divided according to the mechanisms of absorbing solar radiation and of lasing. Several specific models are analyzed and evaluated. Overall conclusions for the program are summarized, and the performances of the lasers related to the requirements of various applications.
Marzocchi, O; Breustedt, B; Mostacci, D; Zankl, M; Urban, M
2011-03-01
A goal of whole body counting (WBC) is the estimation of the total body burden of radionuclides disregarding the actual position within the body. To achieve the goal, the detectors need to be placed in regions where the photon flux is as independent as possible from the distribution of the source. At the same time, the detectors need high photon fluxes in order to achieve better efficiency and lower minimum detectable activities. This work presents a method able to define the layout of new WBC systems and to study the behaviour of existing ones using both detection efficiency and its dependence on the position of the source within the body of computational phantoms.
Theoretical and Experimental Studies in Accelerator Physics
Energy Technology Data Exchange (ETDEWEB)
Rosenzweig, James [Univ. of California, Los Angeles, CA (United States). Dept. of Physics and Astronomy
2017-03-08
. We note also that PBPL graduates remain as close elaborators for the program after leaving UCLA. The UCLA PBPL program is a foremost developer of on-campus facilities, such as the Neptune and Pegasus Laboratories, providing a uniquely strong environment for student-based research. In addition, the PBPL is a strong user of off-campus national lab facilities, such as SLAC FACET and NLCTA, and the BNL ATF. UCLA has also vigorously participated in the development of these facilities. The dual emphases on off- and on-campus opportunities permit the PBPL to address in an agile way a wide selection of cutting-edge research topics. The topics embraced by this proposal illustrate this program aspect well. These include: GV/m dielectric wakefield acceleration/coherent Cerenkov radiation experiments at FACET (E-201) and the ATF; synergistic laser-excited dielectric accelerator and light source development; plasma wakefield (PWFA) experiments on “Trojan horse” ionization injection (FACET E-210), quasi-nonlinear PWFA at BNL and the production at Neptune high transformer ratio plasma wakes; the inauguration of a new type of RF photoinjector termed “hybrid” at UCLA, and application to PWFA; space-charge dominated beam and cathode/near cathode physics; the study of advanced IFEL systems, for very high energy gain and utilization of novel OAM modes; the physcis of inverse Compton scattering (ICS), with applications to e+ production and γγ colliders; electron diffraction; and advanced beam diagnostics using coherent imaging techniques. These subjects are addressed under the leadership of PBPL director Prof. James Rosenzweig in Task A, and Prof. Pietro Musumeci in Task J, which was initiated following his OHEP Outstanding Junior Investigator award.
International Nuclear Information System (INIS)
Stein, E.; Wetjen, D.; Mahnken, R.; Heemann, U.
1987-01-01
This paper is a step in the development of thermodynamically consistent material equations for inelastic materials, such as polycrystalline rock salt. In this context it is of particular importance to reduce the number and the structure of the internal variables, in order to allow for a fit with available experimental data. As an example this is demonstrated in detail in the case of the so-called dislocation model. As physical non-linearities and in addition also geometrical non-linearities lead to an inhomogeneous deformation - and stress state even in the case of simple samples, boundary value problems have to be studied, in order to test the material equations. For this purpose the finite element method has been used. (orig.) [de
International Nuclear Information System (INIS)
Marzocchi, O.; Breustedt, B.; Mostacci, D.; Zankl, M.; Urban, M.
2011-01-01
A goal of whole body counting (WBC) is the estimation of the total body burden of radionuclides disregarding the actual position within the body. To achieve the goal, the detectors need to be placed in regions where the photon flux is as independent as possible from the distribution of the source. At the same time, the detectors need high photon fluxes in order to achieve better efficiency and lower minimum detectable activities. This work presents a method able to define the layout of new WBC systems and to study the behaviour of existing ones using both detection efficiency and its dependence on the position of the source within the body of computational phantoms. (authors)
Theoretical and Numerical Investigation of the Cavity Evolution in Gypsum Rock
Li, Wei; Einstein, Herbert H.
2017-11-01
When water flows through a preexisting cylindrical tube in gypsum rock, the nonuniform dissolution alters the tube into an enlarged tapered tube. A 2-D analytical model is developed to study the transport-controlled dissolution in an enlarged tapered tube, with explicit consideration of the tapered geometry and induced radial flow. The analytical model shows that the Graetz solution can be extended to model dissolution in the tapered tube. An alternative form of the governing equations is proposed to take advantage of the invariant quantities in the Graetz solution to facilitate modeling cavity evolution in gypsum rock. A 2-D finite volume model was developed to validate the extended Graetz solution. The time evolution of the transport-controlled and the reaction-controlled dissolution models for a single tube with time-invariant flow rate are compared. This comparison shows that for time-invariant flow rate, the reaction-controlled dissolution model produces a positive feedback between the tube enlargement and dissolution, while the transport-controlled dissolution does not.
Experimental and theoretical studies of bombardment induced surface morphology changes
International Nuclear Information System (INIS)
Carter, G.; Nobes, M.J.; Williams, J.S.
1980-01-01
In this review results of experimental and theoretical studies of solid surface morphology changes due to ion bombardment are discussed. An attempt is undertaken to classify the observed specific features of a structure, generated by ion bombardment [ru
Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions
Energy Technology Data Exchange (ETDEWEB)
Allen, Wesley D. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry; Schaefer, III, Henry F. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry
2015-11-14
This is the final report of the theoretical studies of elementary hydrocarbon species and their reactions. Part A has a bibliography of publications supported by DOE from 2010 to 2016 and Part B goes into recent research highlights.
Parametrical Numerical Study on Breakwater SSG Application
DEFF Research Database (Denmark)
Margheritini, Lucia; Kofoed, Jens Peter
The report presents numerical investigations on the performance of the SSG concept for different tide and wave conditions towards different levels of discretization to an optimal solution. Benefit of extra reservoir utilization and reservoir length has also been investigated. The report must be c...
Biofouling in forward osmosis systems: An experimental and numerical study
Bucs, Szilard; Valladares Linares, Rodrigo; Vrouwenvelder, Johannes S.; Picioreanu, Cristian
2016-01-01
This study evaluates with numerical simulations supported by experimental data the impact of biofouling on membrane performance in a cross-flow forward osmosis (FO) system. The two-dimensional numerical model couples liquid flow with solute
Theoretical study of nuclear physics with strangeness at Nankai University
International Nuclear Information System (INIS)
Ning Pingzhi
2007-01-01
Theoretical study of nuclear physics with strangeness from the nuclear physics group at Nankai university is briefly introduced. Theoretical calculations on hyperon mean free paths in nuclear medium have been done. The other 4 topics in the area of strangeness nuclear physics are the effect of different baryon impurities in nucleus, the heavy flavored baryon hypernuclei, the eta-mesons in nuclear matter and the properties of kaonic nuclei. (authors)
Theoretical and experimental studies on transient forced convection heat transfer of helium gas
International Nuclear Information System (INIS)
Liu, Qiusheng; Fukuda, Katsuya; Shibahara, Makoto
2008-01-01
Forced convection transient heat transfer for helium gas at various periods of exponential increase of heat input to a horizontal cylinder and a plate (ribbon) one was experimentally and theoretically studied. In the experimental studies, the authors measured heat flux, surface temperature, and transient heat transfer coefficients for forced convection flow of helium gas over a horizontal cylinder and a plate (ribbon) one under wide experimental conditions. Empirical correlations for quasi-steady-state heat transfer and transient heat transfer were obtained based on the experimental data. In the theoretical study, transient heat transfer was numerically solved based on a turbulent flow model. The values of numerical solution for surface temperature and heat flux were compared and discussed with authors' experimental data. (author)
Analytical and Numerical Studies of Several Fluid Mechanical Problems
Kong, D. L.
2014-03-01
In this thesis, three parts, each with several chapters, are respectively devoted to hydrostatic, viscous, and inertial fluids theories and applications. Involved topics include planetary, biological fluid systems, and high performance computing technology. In the hydrostatics part, the classical Maclaurin spheroids theory is generalized, for the first time, to a more realistic multi-layer model, establishing geometries of both the outer surface and the interfaces. For one of its astrophysical applications, the theory explicitly predicts physical shapes of surface and core-mantle-boundary for layered terrestrial planets, which enables the studies of some gravity problems, and the direct numerical simulations of dynamo flows in rotating planetary cores. As another application of the figure theory, the zonal flow in the deep atmosphere of Jupiter is investigated for a better understanding of the Jovian gravity field. An upper bound of gravity field distortions, especially in higher-order zonal gravitational coefficients, induced by deep zonal winds is estimated firstly. The oblate spheroidal shape of an undistorted Jupiter resulting from its fast solid body rotation is fully taken into account, which marks the most significant improvement from previous approximation based Jovian wind theories. High viscosity flows, for example Stokes flows, occur in a lot of processes involving low-speed motions in fluids. Microorganism swimming is such a typical case. A fully three dimensional analytic solution of incompressible Stokes equation is derived in the exterior domain of an arbitrarily translating and rotating prolate spheroid, which models a large family of microorganisms such as cocci bacteria. The solution is then applied to the magnetotactic bacteria swimming problem, and good consistency has been found between theoretical predictions and laboratory observations of the moving patterns of such bacteria under magnetic fields. In the analysis of dynamics of planetary
International Nuclear Information System (INIS)
Kokh, S.
2001-01-01
This research thesis reports the development of a numerical direct simulation of compressible two-phase flows by using interface capturing methods. These techniques are based on the use of an Eulerian fixed grid to describe flow variables as well as the interface between fluids. The author first recalls conventional interface capturing methods and makes the distinction between those based on discontinuous colour functions and those based on level set functions. The approach is then extended to a five equation model to allow the largest as possible choice of state equations for the fluids. Three variants are developed. A solver inspired by the Roe scheme is developed for one of them. These interface capturing methods are then refined, more particularly for problems of numerical diffusion at the interface. A last part addresses the study of dynamic phase change. Non-conventional thermodynamics tools are used to study the structures of an interface which performs phase transition [fr
Numerical MHD study for plasmoid instability in uniform resistivity
Shimizu, Tohru; Kondoh, Koji; Zenitani, Seiji
2017-11-01
The plasmoid instability (PI) caused in uniform resistivity is numerically studied with a MHD numerical code of HLLD scheme. It is shown that the PI observed in numerical studies may often include numerical (non-physical) tearing instability caused by the numerical dissipations. By increasing the numerical resolutions, the numerical tearing instability gradually disappears and the physical tearing instability remains. Hence, the convergence of the numerical results is observed. Note that the reconnection rate observed in the numerical tearing instability can be higher than that of the physical tearing instability. On the other hand, regardless of the numerical and physical tearing instabilities, the tearing instability can be classified into symmetric and asymmetric tearing instability. The symmetric tearing instability tends to occur when the thinning of current sheet is stopped by the physical or numerical dissipations, often resulting in the drastic changes in plasmoid chain's structure and its activity. In this paper, by eliminating the numerical tearing instability, we could not specify the critical Lundquist number Sc beyond which PI is fully developed. It suggests that Sc does not exist, at least around S = 105.
International Nuclear Information System (INIS)
Kako, T.; Watanabe, T.
2000-06-01
This is the proceeding of 'study on numerical methods related to plasma confinement' held in National Institute for Fusion Science. In this workshop, theoretical and numerical analyses of possible plasma equilibria with their stability properties are presented. There are also various lectures on mathematical as well as numerical analyses related to the computational methods for fluid dynamics and plasma physics. Separate abstracts were presented for 13 of the papers in this report. The remaining 6 were considered outside the subject scope of INIS. (J.P.N.)
Theoretical model simulations for the global Thermospheric Mapping Study (TMS) periods
Rees, D.; Fuller-Rowell, T. J.
Theoretical and semiempirical models of the solar UV/EUV and of the geomagnetic driving forces affecting the terrestrial mesosphere and thermosphere have been used to generate a series of representative numerical time-dependent and global models of the thermosphere, for the range of solar and geoamgnetic activity levels which occurred during the three Thermospheric Mapping Study periods. The simulations obtained from these numerical models are compared with observations, and with the results of semiempirical models of the thermosphere. The theoretical models provide a record of the magnitude of the major driving forces which affected the thermosphere during the study periods, and a baseline against which the actual observed structure and dynamics can be compared.
Numerical studies of impurities in fusion plasmas
International Nuclear Information System (INIS)
Hulse, R.A.
1982-09-01
The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest
Numerical study of MHD supersonic flow control
Ryakhovskiy, A. I.; Schmidt, A. A.
2017-11-01
Supersonic MHD flow around a blunted body with a constant external magnetic field has been simulated for a number of geometries as well as a range of the flow parameters. Solvers based on Balbas-Tadmor MHD schemes and HLLC-Roe Godunov-type method have been developed within the OpenFOAM framework. The stability of the solution varies depending on the intensity of magnetic interaction The obtained solutions show the potential of MHD flow control and provide insights into for the development of the flow control system. The analysis of the results proves the applicability of numerical schemes, that are being used in the solvers. A number of ways to improve both the mathematical model of the process and the developed solvers are proposed.
An Activity Theoretical Approach to Social Interaction during Study Abroad
Shively, Rachel L.
2016-01-01
This case study examines how one study abroad student oriented to social interaction during a semester in Spain. Using an activity theoretical approach, the findings indicate that the student not only viewed social interaction with his Spanish host family and an expert-Spanish-speaking age peer as an opportunity for second language (L2) learning,…
Diffusion in liquids a theoretical and experimental study
Tyrrell, H J V
1984-01-01
Diffusion in Liquids: A Theoretical and Experimental Study aims to discuss the principles, applications, and advances in the field of diffusion, thermal diffusion, and thermal conduction in liquid systems. The book covers topics such as the principles of non-equilibrium thermodynamics; diffusion in binary and multicompetent systems; and experimental methods of studying diffusion processes in liquids. Also covered in the book are topics such as the theoretical interpretations of diffusion coefficients; hydrodynamic and kinetic theories; and diffusion in electrolyte systems. The text is recommen
Theoretical and Methodological Perspectives on Designing Video Studies of Interaction
Directory of Open Access Journals (Sweden)
Anna-Lena Rostvall
2005-12-01
Full Text Available In this article the authors discuss the theoretical basis for the methodological decisions made during the course of a Swedish research project on interaction and learning. The purpose is to discuss how different theories are applied at separate levels of the study. The study is structured on three levels, with separate sets of research questions and theoretical concepts. The levels reflect a close-up description, a systematic analysis, and an interpretation of how teachers and students act and interact. The data consist of 12 hours of video-recorded and transcribed music lessons from high school and college. Through a multidisciplinary theoretical framework, the general understanding of teaching and learning in terms of interaction can be widened. The authors also present a software tool developed to facilitate the processes of transcription and analysis of the video data.
Theoretical and experimental study of modes associated to ion cyclotron heating on TFR
International Nuclear Information System (INIS)
Pignol, L.
1985-05-01
In this work, the ion cyclotron wave evolution is followed thanks to a coherent scattering device using carbon dioxide laser radiation. A theoretical part presents the dispersion equation that obey the waves excited in the plasma by antenna emitting ion cyclotron frequency. Then measurements given by the diagnostic are given. Fast and slow waves evidenced theoretically, are experimentally observed. Two simple theoretical models allow to extract physical quantities characteristics of the two modes. These two modes are followed along the radial coordinate of the tore and their behavior through the hybrid curve is studied. measured spectra shape is shown to confirm the described numerical code validity. Time study of the slow wave shows of internal relaxation phenomenon of plasma [fr
International Nuclear Information System (INIS)
Staron, E.
1996-01-01
Critical Heat Flux is a very important subject of interest due to design, operation and safety analysis of nuclear power plants. Every new design of the core must be thoroughly checked. Experimental studies have been performed using freon as a working fluid. The possibility of transferring of results into water equivalents has been proved. The experimental study covers vertical flow, annular geometry over a wide range of pressure, mass flow and temperature at inlet of test section. Theoretical models of Critical Heat Flux have been presented but only those which cover DNB. Computer programs allowing for numerical calculations using theoretical models have been developed. A validation of the theoretical models has been performed in accordance with experimental results. (author). 83 refs, 32 figs, 4 tabs
Numerical study of suspensions of deformable particles.
Brandt, Luca; Rosti, Marco Edoardo
2017-11-01
We consider a model non-Newtonian fluid consisting of a suspension of deformable particles in a Newtonian solvent. Einstein showed in his pioneering work that the relative increase in effective viscosity is a linear function of the particle volume fraction for dilute suspensions of rigid particles. Inertia has been shown to introduce deviations from the behaviour predicted by the different empirical fits, an effect that can be related to an increase of the effective volume fraction. We here focus on the effect of elasticity, i.e. visco-elastic deformable particles. To tackle the problem at hand, we perform three-dimensional Direct Numerical Simulation of a plane Couette flow with a suspension of neutrally buoyant deformable viscous hyper-elastic particles. We show that elasticity produces a shear-thinning effect in elastic suspensions (in comparison to rigid ones) and that it can be understood in terms of a reduction of the effective volume fraction of the suspension. The deformation modifies the particle motion reducing the level of mutual interaction. Normal stress differences will also be considered. European Research Council, Grant No. ERC-2013-CoG- 616186, TRITOS; SNIC (the Swedish National Infrastructure for Computing).
Numerical studies of gauge field theories
International Nuclear Information System (INIS)
Creutz, M.
1981-06-01
Monte Carlo simulation of statistical systems is a well established technique of the condensed matter physicist. In the last few years, particle theorists have rediscovered this method and are having a marvelous time applying it to quantized gauge field theories. The main result has been strong numerical evidence that the standard SU(3) non-Abelian gauge theory of the strong interaction is capable of simultaneously confining quarks into the physical hadrons and exhibiting asymptotic freedom, the phenomenon of quark interactions being small at short distances. In four dimensions, confinement is a non-perturbative phenomenon. Essentially all models of confinement tie widely separated quarks together with strings of gauge field flux. This gives rise to a linear potential at long distances. A Monte Carlo program generates a sequence of field configuration by a series of random changes of the fields. The algorithm is so constructed that ultimately the probability density for finding any given configuration is proportional to the Boltzmann weighting. We bring our lattices into thermal equilibrium with a heat bath at a temperature specified by the coupling constant. Thus we do computer experiments with four-dimensional crystals stored in a computer memory. As the entire field configuration is stored, we have access to any correlation function desired. These lectures describe the kinds of experiments being done and the implications of these results for strong interaction physics
Theoretical nuclear reaction and structure studies using hyperons and photons
International Nuclear Information System (INIS)
Cotanch, S.R.
1991-01-01
This report details research progress and results obtained during the 12 month period from January 1991 through 31 December 1991. The research project, entitled ''Theoretical Nuclear Reaction and Structure Studies Using Hyperons and Photons,'' is supported by grant DE-FG05-88ER40461 between North Carolina State University and the United States Department of Energy. In compliance with grant requirements the Principal Investigator, Professor Stephen R. Cotanch, has conducted a research program addressing theoretical investigations of reactions involving hyperons and photons. The new, significant research results are briefly summarized in the following sections
Theoretical studies in nuclear reactions and nuclear structure
International Nuclear Information System (INIS)
Wallace, S.J.
1991-05-01
This report discusses topics in the following areas: Hadronic structure; hadrons in nuclei; hot hadronic matter; relativistic nuclear physics and NN interaction; leptonic emissions from high-Z heavy ion collisions; theoretical studies of heavy ion dynamics; nuclear pre-equilibrium reactions; classical chaotic dynamics and nuclear structure; and, theory of nuclear fission
A theoretical study of absorption equilibria in silicon CVD
Gardeniers, Johannes G.E.; Giling, L.J.; de Jong, F.; van der Eerden, J.P.
1990-01-01
As part of a theoretical study of adsorption processes in the chemical vapour deposition of silicon, thermochemical data are derived for the adsorption of Si-H species on the Si(111) and the dimer-reconstructed Si(001)-(2 x 1) surfaces. Essential contributions to the heats of adsorption appear to be
Theoretical studies of transition metal complexes with nitriles and isocyanides
International Nuclear Information System (INIS)
Kuznetsov, Maksim L
2002-01-01
Theoretical studies of transition metal complexes with nitriles and isocyanides are reviewed. The electronic structures and the nature of coordination bonds in these complexes are discussed. The correlation between the electronic structures of transition metal complexes with nitriles and isocyanides and their structural properties, spectroscopic characteristics, and reactivities are considered. The bibliography includes 121 references.
A theoretical study on interaction of proline with gold cluster
Indian Academy of Sciences (India)
with Au3 (Pakiari and Jamshidi 2007) and interaction of. ∗. Author for correspondence (harjinder.singh@iiit.ac.in) small gold clusters with xDNA base pairs (Sharma et al. 2009) have motivated us to carry out a theoretical study on interaction of proline with gold nanoparticles. Proline is unique among the natural amino acids ...
Theoretical study of catalytic hydrogenation of oxirane and its methyl ...
African Journals Online (AJOL)
C3H6O) is its methyl derivative. Theoretical studies on catalytic hydrogenation of both compounds, in presence of aluminium chloride (AlCl3) catalyst, are carried out. The products of reactions are ethanol and propan-1-ol from oxirane and ...
Theoretical study of n-alkane adsorption on metal surfaces
DEFF Research Database (Denmark)
Morikawa, Yoshitada; Ishii, Hisao; Seki, Kazuhiko
2004-01-01
The interaction between n-alkane and metal surfaces has been studied by means of density-functional theoretical calculations within a generalized gradient approximation (GGA). We demonstrate that although the GGA cannot reproduce the physisorption energy well, our calculations can reproduce the e...
Numerical study of two dimensional disordered systems in an external magnetic field
International Nuclear Information System (INIS)
Jana, Debnarayan
2000-01-01
We study here 2d tight-binding disordered model in an external magnetic field. By numerically diagonalizing the Hamiltonian, we characterize the eigenstates by Generalized Inverse Participation Ratio (GIPR). The properties of the eigenstates have been studied in case of random flux model as well as with the strength of disorder. Simple theoretical arguments are given in support of the numerical observation. Finally, we have also studied the multifractality of the eigenstates. All these study may shed light on the eigenstates in the center of the band in case of Integer Quantum Hall Effect (IQHE). (author)
Study for discharge coefficient of flow nozzles. Prediction by using numerical simulation
International Nuclear Information System (INIS)
Ikeda, Hiroshi; Sakai, Norio; Yamamoto, Yasushi; Arai, Kenji; Matsumoto, Masaaki
2008-01-01
In nuclear plant, as water feeding into reactor have much effect on thermal power of plant, it is important to measure accurately the flow rate of water. Flow nozzle is on of typical differential pressure type flow meters and the discharge coefficient is used to calculate the flow rate. This coefficient is given by actual experiment and theory. We studied the theoretical assumption of the discharge coefficient curve using numerical simulation and evaluated the effect of flow nozzle configuration on the coefficient numerically and experimentally. As the result, numerical simulation can predict the discharge coefficient of theoretical curve within 0.3%. And we found that the throat length and throat tapping location of flow nozzle have much effect on the coefficient. (author)
Numerical study of similarity in prototype and model pumped turbines
International Nuclear Information System (INIS)
Li, Z J; Wang, Z W; Bi, H L
2014-01-01
Similarity study of prototype and model pumped turbines are performed by numerical simulation and the partial discharge case is analysed in detail. It is found out that in the RSI (rotor-stator interaction) region where the flow is convectively accelerated with minor flow separation, a high level of similarity in flow patterns and pressure fluctuation appear with relative pressure fluctuation amplitude of model turbine slightly higher than that of prototype turbine. As for the condition in the runner where the flow is convectively accelerated with severe separation, similarity fades substantially due to different topology of flow separation and vortex formation brought by distinctive Reynolds numbers of the two turbines. In the draft tube where the flow is diffusively decelerated, similarity becomes debilitated owing to different vortex rope formation impacted by Reynolds number. It is noted that the pressure fluctuation amplitude and characteristic frequency of model turbine are larger than those of prototype turbine. The differences in pressure fluctuation characteristics are discussed theoretically through dimensionless Navier-Stokes equation. The above conclusions are all made based on simulation without regard to the penstock response and resonance
Numerical study of glare spot phase Doppler anemometry
Hespel, C.; Ren, K. F.; Gréhan, G.; Onofri, F.
2008-03-01
The phase Doppler anemometry has (PDA) been developed to measure simultaneously the velocity and the size of droplets. When the concentration of particles is high, tightly focused beams must be used, as in the dual burst PDA. The latter permits an access to the refractive index of the particle, but the effect of wave front curvature of the incident beams becomes evident. In this paper, we introduce a glare spot phase Doppler anemometry which uses two large beams. The images of the particle formed by the reflected and refracted light, known as glare spots, are separated in space. When a particle passes through the probe volume, the two parts in a signal obtained by a detector in forward direction are then separated in time. If two detectors are used the phase differences and the intensity ratios between two signals, the distance between the reflected and refracted spots can be obtained. These measured values provide information about the particle diameter and its refractive index, as well as its two velocity components. This paper is devoted to the numerical study of such a configuration with two theoretical models: geometrical optics and rigorous electromagnetism solution.
Thermalization of positronium in helium: A numerical study
Energy Technology Data Exchange (ETDEWEB)
Marjanovic, S.; Suvakov, M. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Engbrecht, J.J. [Saint Olaf College, Northfield, MN 55057 (United States); Petrovic, Z.Lj., E-mail: zoran@ipb.ac.rs [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia)
2012-05-15
In this paper we present a numerical study of positronium (Ps) thermalization in pure helium (He). Recent measurements of Ps thermalization yielded data that were analyzed to produce the scattering cross-sections in helium by using energy balance equations with an assumption of a Maxwell-Boltzmann distribution (MBD) function for Ps. We have applied a Monte Carlo code to test the cross-sections. As our code was developed without any approximations for the energy distribution function we have effectively also tested the assumptions and the validity of the simple theory based on Maxwellian distributions. We present the simulation results using the simulation technique that is limited only by the accuracy of the available cross-sections. We calculate thermalization profiles for several theoretical and measured cross-sections. Also, the temporal evolution of energy distributions has been shown along with diffusion coefficients and spatial ranges of penetration. Thermalization of the initial distribution is rapid and the data follow relatively closely, those calculated in recent experiment, which supports the choice of MBD and the obtained cross-section. However the distribution function most of the time deviates from the MBD due to strong scattering. Finally, we applied the same procedure to analyze Ps thermalization in water vapor.
Theoretical and experimental study of mixed solvent electrolytes
International Nuclear Information System (INIS)
Cummings, P.T.; O'Connell, J.P.
1990-01-01
In the original proposal to study mixed solvent electrolyte solutions, four major goals were formulated: fundamental modeling of mixed solvent electrolytes using numerically solved integral equation approximation theories; evaluation of intermolecular pair potential models by computer simulation of selected systems for comparison with experiment and the numerical integral equation studies; development of fundamentally based correlations for the thermodynamic properties of mixed solvent electrolyte solutions using analytically solvable statistical mechanical models; and extension of experimental database on mixed solvent electrolytes by performing vapor-liquid equilibrium measurements on selected systems. This paper discusses the progress on these goals
Numerical study of fluid motion in bioreactor with two mixers
Energy Technology Data Exchange (ETDEWEB)
Zheleva, I., E-mail: izheleva@uni-ruse.bg [Department of Heat Technology, Hydraulics and Ecology, Angel Kanchev University of Rousse, 8 Studentska str., 7017 Rousse (Bulgaria); Lecheva, A., E-mail: alecheva@uni-ruse.bg [Department of Mathematics, Angel Kanchev University of Rousse, 8 Studentska str., 7017 Rousse (Bulgaria)
2015-10-28
Numerical study of hydrodynamic laminar behavior of a viscous fluid in bioreactor with multiple mixers is provided in the present paper. The reactor is equipped with two disk impellers. The fluid motion is studied in stream function-vorticity formulation. The calculations are made by a computer program, written in MATLAB. The fluid structure is described and numerical results are graphically presented and commented.
Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food
International Nuclear Information System (INIS)
Leung, M; Ching, W H; Leung, D Y C; Lam, G C K
2005-01-01
A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others
Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food
Leung, M.; Ching, W. H.; Leung, D. Y. C.; Lam, G. C. K.
2005-02-01
A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others.
Theoretical Studies of Optical Properties of Silver Nanoparticles
International Nuclear Information System (INIS)
Ye-Wan, Ma; Zhao-Wang, Wu; Li-Hua, Zhang; Jie, Zhang
2010-01-01
Optical properties of silver nanoparticles such as extinction, absorption and scattering efficiencies are studied based on Green's function theory. The numerical simulation results show that optical properties of silver nanoparticles are mainly dependent on their sizes and geometries; the localized plasmon resonance peak is red shifted when the dielectric constant of the particle's surrounding medium increases or when a substrate is presented. The influences of wave polarizations, the incident angles of light, the composite silver and multiply-layers on the plasmon resonance are also reported. The numerical simulation of optical spectra is a very useful tool for nanoparticle growth and characterization. (fundamental areas of phenomenology(including applications))
Theoretical Studies on Photoionization Cross Sections of Solid Gold
International Nuclear Information System (INIS)
Ma Xiaoguang; Sun Weiguo; Cheng Yansong
2005-01-01
Accurate expression for photoabsorption (photoionization) cross sections of high density system proposed recently is used to study the photoionization of solid gold. The results show that the present theoretical photoionization cross sections have good agreement both in structure and in magnitude with the experimental results of gold crystal. The studies also indicate that both the real part ε' and the imaginary part ε'' of the complex dielectric constant ε, and the dielectric influence function of a nonideal system have rich structures in low energy side with a range about 50 eV, and suggest that the influence of particle interactions of surrounding particles with the photoionized particle on the photoionization cross sections can be easily investigated using the dielectric influence function. The electron overlap effects are suggested to be implemented in the future studies to improve the accuracy of theoretical photoionization cross sections of a solid system.
Numerical Study on POSRV Leak Detection
International Nuclear Information System (INIS)
Ko, Yong Sang; Baik, Se Jin; Cho, Yoon Jae; Yune, Seok Jeong; Kim, Eun Kee
2015-01-01
This study shows that the selected temperature measuring locations on the discharge lines of MV, MOPV, SLPV0 and SLPV1 are adequate for POSRV leakage detection. The analyzed temperature can be used as an alarm setpoint for leakage detection. Spring-Loaded Pilot Valve (SLPV) acts as a Reactor Coolant Pressure Boundary (RCPB) isolator in the closed position during the normal operation, but it opens automatically when the system pressure increases to its set pressure. The POSRVs shall be closed tightly to maintain the integrity of RCPB during the normal operation. Leakage through the RCPB is limited extremely. Each POSRV has several discharge lines for MV and auxiliary valves. Temperature instruments are installed on each discharge lines for leakage detection. In this study, Computational Fluid Dynamics (CFD) analyses using FLUENT are conducted to evaluate the temperature measurement for POSRV leakage detection. The followings are concluded from this study: 1) The determined temperature measuring points are adequate for effective leak detection, which are at the downstream of the first bend of each discharge line as close as to the discharge nozzle. 2) The alarm set point for detecting a leak is adequate and can be determined with considering the analysis results. 3) The temperature rise is sufficiently high to detect a small leakage. 4) The temperature sensing method is appropriate for finding a valve leakage
Numerical study of effect of oxygen fraction on local entropy ...
Indian Academy of Sciences (India)
This study considers numerical simulation of the combustion of methane with air, including oxygen and nitrogen, in a burner and the numerical solution of local entropy generation rate due to high temperature and velocity gradients in the combustion chamber. The effects of equivalence ratio () and oxygen percentage () ...
A numerical study of the Magellan Plume
Palma, Elbio D.; Matano, Ricardo P.
2012-05-01
In this modeling study we investigate the dynamical mechanisms controlling the spreading of the Magellan Plume, which is a low-salinity tongue that extends along the Patagonian Shelf. Our results indicate that the overall characteristics of the plume (width, depth, spreading rate, etc.) are primarily influenced by tidal forcing, which manifests through tidal mixing and tidal residual currents. Tidal forcing produces a homogenization of the plume's waters and an offshore displacement of its salinity front. The interaction between tidal and wind-forcing reinforces the downstream and upstream buoyancy transports of the plume. The influence of the Malvinas Current on the Magellan Plume is more dominant north of 50°S, where it increases the along-shelf velocities and generates intrusions of saltier waters from the outer shelf, thus causing a reduction of the downstream buoyancy transport. Our experiments also indicate that the northern limit of the Magellan Plume is set by a high salinity discharge from the San Matias Gulf. Sensitivity experiments show that increments of the wind stress cause a decrease of the downstream buoyancy transport and an increase of the upstream buoyancy transport. Variations of the magnitude of the discharge produce substantial modifications in the downstream penetration of the plume and buoyancy transport. The Magellan discharge generates a northeastward current in the middle shelf, a recirculation gyre south of the inlet and a region of weak currents father north.
Charging/discharging processes in nanocrystaline MOS structures - Theoretical study
International Nuclear Information System (INIS)
Tanous, D; Mazurak, A; Majkusiak, B
2016-01-01
We present the study of impact of some parameters of the metal-insulator-semiconductor structure with nanocrystals embedded in the insulator layer on the current-voltage and capacitance-voltage characteristics with the bias voltage ramp rate as a parameter. The developed model is used as a tool for theoretical understanding the physics behind charging and discharging processes in the considered structures. (paper)
Theoretical studies of fusion physics. Volume I. Summary. Final report
International Nuclear Information System (INIS)
1983-01-01
Theoretical studies were performed on each of the following topics: (1) absorption of waves near the cyclotron frequency by relativistic electrons in EBT, (2) power balance in a stable, adiabatic hot electron annulus, (3) whistler instability in a relativistic electron annulus, (4) adiabatic limits on electron temperature in the EBT annulus, and (5) summary of a model of the EBT ring heating/loss process
A theoretical and experimental study of microshield circuits
Dib, Nihad I.; Drayton, Rhonda F.; Katehi, Linda P. B.
1993-05-01
The novel type of monolithic planar transmission line presently studied theoretically and experimentally operates without via-holes or ground-equalizing air bridges; it also radiates less than conventional coplanar waveguides and furnishes a wide range of impedances in virtue of its many design parameters. The space-domain integral equation method is used to analyze several discontinuities of the proposed line. It is shown that the proposed line discontinuities radiate less than the corresponding coplanar waveguide cases.
Theoretical study on the first kind of density wave instabilities
Energy Technology Data Exchange (ETDEWEB)
Zuying, Gao; Jincai, Li; Baocheng, Xu; Zuoyi, Zhang; Cheng, Gao [Institute of Nuclear Energy and Technology, Tsingua Univ., Beijing (China)
1997-09-01
The present paper summarizes the theoretical studies carried out by INET (Institute of Nuclear Energy Technology) of Tsinghua University on the first kind of density wave instabilities (DWIs) of natural circulation systems. The analysis methods of DWI and mathematical models of drift flux are presented. Based on the general excess entropy production criterion of non-equilibrium thermodynamics, an energy principle of DWI is established. (author). 10 refs, 16 figs.
The pressure distribution for biharmonic transmitting array: theoretical study
Baranowska, A.
2005-03-01
The aim of the paper is theoretical analysis of the finite amplitude waves interaction problem for the biharmonic transmitting array. We assume that the array consists of 16 circular pistons of the same dimensions that regrouped in two sections. Two different arrangements of radiating elements were considered. In this situation the radiating surface is non-continuous without axial symmetry. The mathematical model was built on the basis of the Khokhlov - Zabolotskaya - Kuznetsov (KZK) equation. To solve the problem the finite-difference method was applied. On-axis pressure amplitude for different frequency waves as a function of distance from the source, transverse pressure distribution of these waves at fixed distances from the source and pressure amplitude distribution for them at fixed planes were examined. Especially changes of normalized pressure amplitude for difference frequency were studied. The paper presents mathematical model and some results of theoretical investigations obtained for different values of source parameters.
THEORETICAL AND EXPERIMENTAL STUDY OF STRUCTURES SUBJECTED TO EARTHQUAKES
Energy Technology Data Exchange (ETDEWEB)
Soubirou, A.
1967-12-31
The object of the study was the investigation of the behaviour of structures subject to earthquakes. After .describing and analysing seismic movements, useful concepts for earthquake-proofing structures are lintroduced. Then, the dynamic behaviour of systems with n degrees of freedom was studied in order to evolve the theoretical computation of seismic behaviour, a typical application being reticulated structures. The next stage was showing the computational procedure for seismic spectra and the natural frequencies of buildings, an attempt being made to define earthquake-proofing criteria for a special type of reinforced-concrete construction. . The last matter dealt with is elastoplastic behaviour of structures, a study of increasingly growing importance.
NUMERICAL STUDY OF THE VISHNIAC INSTABILITY IN SUPERNOVA REMNANTS
International Nuclear Information System (INIS)
Michaut, C.; Cavet, C.; Bouquet, S. E.; Roy, F.; Nguyen, H. C.
2012-01-01
The Vishniac instability is thought to explain the complex structure of radiative supernova remnants in their Pressure-Driven Thin Shell (PDTS) phase after a blast wave (BW) has propagated from a central explosion. In this paper, the propagation of the BW and the evolution of the PDTS stage are studied numerically with the two-dimensional (2D) code HYDRO-MUSCL for a finite-thickness shell expanding in the interstellar medium (ISM). Special attention is paid to the adiabatic index, γ, and three distinct values are taken for the cavity (γ 1 ), the shell (γ 2 ), and the ISM (γ 3 ) with the condition γ 2 1 , γ 3 . This low value of γ 2 accounts for the high density in the shell achieved by a strong radiative cooling. Once the spherical background flow is obtained, the evolution of a 2D-axisymmetric perturbation is computed from the linear to the nonlinear regime. The overstable mechanism, previously demonstrated theoretically by E. T. Vishniac in 1983, is recovered numerically in the linear stage and is expected to produce and enhance anisotropies and clumps on the shock front, leading to the disruption of the shell in the nonlinear phase. The period of the increasing oscillations and the growth rate of the instability are derived from several points of view (the position of the perturbed shock front, mass fluxes along the shell, and density maps), and the most unstable mode differing from the value given by Vishniac is computed. In addition, the influence of several parameters (the Mach number, amplitude and wavelength of the perturbation, and adiabatic index) is examined and for wavelengths that are large enough compared to the shell thickness, the same conclusion arises: in the late stage of the evolution of the radiative supernova remnant, the instability is dampened and the angular initial deformation of the shock front is smoothed while the mass density becomes uniform with the angle. As a result, our model shows that the supernova remnant returns to a
Numerical study of the glass-glass transition in short-ranged attractive colloids
International Nuclear Information System (INIS)
Zaccarelli, Emanuela; Sciortino, Francesco; Tartaglia, Piero
2004-01-01
We report extensive numerical simulations in the glass region for a simple model of short-ranged attractive colloids, the square well model. We investigate the behaviour of the density autocorrelation function and of the static structure factor in the region of temperatures and packing fractions where a glass-glass transition is expected according to theoretical predictions. We strengthen our observations by studying both waiting time and history dependence of the numerical results. We provide evidence supporting the possibility that activated bond-breaking processes destabilize the attractive glass, preventing the full observation of a sharp glass-glass kinetic transition
Study on the groundwater sustainable problem by numerical ...
Indian Academy of Sciences (India)
Pengpeng Zhou
2017-10-07
Oct 7, 2017 ... system in Zhanjiang, China, this paper presents a numerical modelling study to research groundwater sustainability of ... bility is a feasible method for solving the sus- ...... Singh A 2010 Decision support for on-farm water man-.
Guadalupe River, California, Sedimentation Study. Numerical Model Investigation
National Research Council Canada - National Science Library
Copeland, Ronald
2002-01-01
A numerical model study was conducted to evaluate the potential impact that the Guadalupe River flood-control project would have on channel stability in terms of channel aggradation and degradation...
Theoretical studies on core-level spectra of solids
International Nuclear Information System (INIS)
Kotani, Akio
1995-01-01
I present a review on theoretical studies of core-level spectra (CLS) in solids. In CLS, the dynamical response of outer electrons to a core hole is reflected through the screening of core hole potential. Impurity Anderson model (IAM) or cluster model is successfully applied to the analysis of X-ray photoemission spectra (XPS) and X-ray absorption spectra (XAS) in f and d electron systems, where the f and d electron states are hybridized with the other valence or conduction electron states. The effect of the core-hole potential in the final state of XPS and XAS plays an important role, as well as the solid state hybridization and intra-atomic multiplet coupling effects. As typical examples, the calculated results for XPS of rare-earth compounds and transition metal compounds are shown, and some discussions are given. As a subject of remarkable progress with high brightness synchrotron radiation sources, I discuss some theoretical aspects of X-ray emission spectra (XES) and their resonant enhancement at the X-ray absorption threshold. Some experimental data and their theoretical analysis are also given. (author)
Theoretical study for solar air pretreatment collector/regenerator
Energy Technology Data Exchange (ETDEWEB)
Peng Donggen; Zhang Xiaosong; Yin Yonggao [School of Energy and Environment, Southeast Univ., Nanjing (China)
2008-07-01
A new liquid regeneration equipment - solar air pretreatment collector/regenerator for liquid desiccant cooling system is put forward in this paper, which is preferable to solution regeneration in hot and moist climate in South China. The equipment can achieve liquid regeneration in lower temperature. When the solution and the air are in ''match'' state in collector/ regenerator, a match air to salt mass ratio ASMR* is found by theoretical study in which there is the largest theoretical storage capacity SC{sub max}. After two new concepts of the effective solution proportion (EPS) and the effective storage capacity (ESC) are defined, it is found by theoretical calculation that when ESP drops from 100% to 67%, ESC raises lowly, not drops and liquid outlet concentration C{sub str} {sub sol} increases from 40% to 49% in which its increment totals to 90%. All these data explain fully that air pretreatment liquid regeneration equipment enables to improve the performance of liquid desiccant cooling system. (orig.)
Micro sociological study of family relationships: heuristic potential theoretical principles
Directory of Open Access Journals (Sweden)
O. P. Zolotnyik
2015-03-01
Full Text Available This article is devoted to demonstrate the heuristic potential of theoretical principles by microsoсiological analysis of one of the indicators of family – family relations. Theoretical analysis of the interaction experience is quite large, but there is the question about it’s possibility to describe the specifics of that relationship that arise in family interaction. The study of family relationships requires an integrated approach to the comprehension of many related components: system of spouses value orientations, family life cycle, socioeconomic living conditions of couple. However, the accentuation exactly on actionbehavioral aspect allows to make assumptions about correlations between: success of family interaction and microclimate in the family; satisfaction level of interpersonal interaction and overall satisfaction with marriage, familiarity of family interaction and density of childbearing, and so on. The presentation of microsoсiological theoretical achievements will be carried out of sociological schools, orientations and their members that are the most popular references in this area. this paper will presents the theory of exchange, supporters of symbolic interactionism, dramatic and etnometodological approach and family systems theory.
Heat conduction in graphene: experimental study and theoretical interpretation
International Nuclear Information System (INIS)
Ghosh, S; Nika, D L; Pokatilov, E P; Balandin, A A
2009-01-01
We review the results of our experimental investigation of heat conduction in suspended graphene and offer a theoretical interpretation of its extremely high thermal conductivity. The direct measurements of the thermal conductivity of graphene were performed using a non-contact optical technique and special calibration procedure with bulk graphite. The measured values were in the range of ∼3000-5300 W mK -1 near room temperature and depended on the lateral dimensions of graphene flakes. We explain the enhanced thermal conductivity of graphene as compared to that of bulk graphite basal planes by the two-dimensional nature of heat conduction in graphene over the whole range of phonon frequencies. Our calculations show that the intrinsic Umklapp-limited thermal conductivity of graphene grows with the increasing dimensions of graphene flakes and can exceed that of bulk graphite when the flake size is on the order of a few micrometers. The detailed theory, which includes the phonon-mode-dependent Gruneisen parameter and takes into account phonon scattering on graphene edges and point defects, gives numerical results that are in excellent agreement with the measurements for suspended graphene. Superior thermal properties of graphene are beneficial for all proposed graphene device applications.
Optical gain coefficients of silicon: a theoretical study
Tsai, Chin-Yi
2018-05-01
A theoretical model is presented and an explicit formula is derived for calculating the optical gain coefficients of indirect band-gap semiconductors. This model is based on the second-order time-dependent perturbation theory of quantum mechanics by incorporating all the eight processes of photon/phonon emission and absorption between the band edges of the conduction and valence bands. Numerical calculation results are given for Si. The calculated absorption coefficients agree well with the existing fitting formula of experiment data with two modes of phonons: optical phonons with energy of 57.73 meV and acoustic phonons with energy of 18.27 meV near (but not exactly at) the zone edge of the X-point in the dispersion relation of phonons. These closely match with existing data of 57.5 meV transverse optical (TO) phonons at the X4-point and 18.6 meV transverse acoustic (TA) phonons at the X3-point of the zone edge. The calculated results show that the material optical gain of Si will overcome free-carrier absorption if the energy separation of quasi-Fermi levels between electrons and holes exceeds 1.15 eV.
Experimental studies of caesium iodide aerosol condensation: theoretical interpretation
International Nuclear Information System (INIS)
Beard, A.M.; Benson, C.G.; Horton, K.D.; Buckle, E.R.
1990-07-01
Caesium iodide is predicted to be a significant source of fission product aerosols during the course of a severe accident in a pressurised water reactor (PWR). The nucleation and growth of caesium iodide aerosols have been studied using a plume chamber and the results compared with theoretical values calculated using the approach developed by Buckle for aerosol nucleation. The morphology of the particles was studied using scanning electron microscopy (SEM) and transmission optical microscopy (TOM), whilst the particle size distributions were determined from differential mobility (DMPS) and aerodynamic (APS) measurements. (author)
Theoretical study of fractal growth and stability on surface
DEFF Research Database (Denmark)
Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.
2009-01-01
We perform a theoretical study of the fractal growing process on surface by using the deposition, diffusion, aggregation method. We present a detailed analysis of the post-growth processes occurring in a nanofractal on surface. For this study we developed a method which describes the internal...... dynamics of particles in a fractal and accounts for their diffusion and detachment. We demonstrate that these kinetic processes are responsible for the formation of the final shape of the islands on surface after the post-growth relaxation....
Experimental and theoretical study of steam condensation induced water hammer phenomena
International Nuclear Information System (INIS)
Barna, Imre Ferenc; Baranyai, Gabor; Ezsoel, Gyoergy
2009-01-01
We investigate steam condensation induced water hammer (waha) phenomena and present experimental and theoretical results. Some of the experiments were performed in the PMK-2 facility, which is a full-pressure thermohydraulic model of the nuclear power plant of VVER-440/312 type and located in the Atomic Energy Research Institute Budapest, Hungary. Other experiments were done in the ROSA facility in Japan. On the theoretical side waha is studied and analyzed with the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface averaged mass, momentum and energy balances. A second order accurate high-resolution shock-capturing numerical scheme was applied with different kind of limiters in the numerical calculations. The applied two-fluid model shows some similarities to Relap5 which is widely used in the nuclear industry to simulate nuclear power plant accidents. Experimentally measured and theoretically calculated waha pressure peaks are in qualitative agreement. (author)
Directory of Open Access Journals (Sweden)
Xin Lai
2016-01-01
Full Text Available Industrial simulation of real external load using multiple exciting points or increasing exciting force by synchronizing multiple exciting forces requires multiple vibration hammers to be coordinated and work together. Multihammer vibration system which consists of several hammers is a complex electromechanical system with complex electromechanical coupling. In this paper, electromechanical coupling properties of such a multihammer vibration system were studied in detail using theoretical derivation, numerical simulation, and experiment. A kinetic model of multihammer synchronous vibration system was established, and approximate expressions for electromechanical coupling strength were solved using a small parameter periodic averaging method. Basic coupling rules and reasons were obtained. Self-synchronization and frequency hopping phenomenon were also analyzed. Subsequently, numerical simulations were carried out and electromechanical coupling process was obtained for different parameters. Simulation results verify correctness of the proposed model and results. Finally, experiments were carried out, self-synchronization and frequency hopping phenomenon were both observed, and results agree well with theoretical deduction and simulation results. These results provide theoretical foundations for multihammer synchronous vibration system and its synchronous control.
Theoretical and experimental study of fenofibrate and simvastatin
Nicolás Vázquez, Inés; Rodríguez-Núñez, Jesús Rubén; Peña-Caballero, Vicente; Ruvalcaba, Rene Miranda; Aceves-Hernandez, Juan Manuel
2017-12-01
Fenofibrate, an oral fibrate lipid lowering agent, and simvastatin, which reduces plasma levels of low-density lipoprotein cholesterol, are active pharmaceutical ingredients (APIs), currently in the market. We characterized these APIs by thermal analysis and conducted X-ray powder diffraction techniques. Studies should be carried out in the formulation stage before the final composition of a polypill may be established. Thus, it was found in thermochemical studies that both compounds present no chemical interactions in an equimolar mixture of solid samples at room temperature. Theoretical studies were employed to determine possible interactions between fenofibrate and simvastatin. A very weak intramolecular hydrogen bond is formed between the hydroxyl group (O5H5) of the simvastatin with chlorine and carbonyl group (C11O4, C1O2) of the fenofibrate molecule. These weak energy hydrogen bonds have no effect on the chemical stability of the compounds studied. The results were obtained using Density Functional Theory methods; particularly the BPE1BPE and B3LYP functional and 6-31++G** basis set. The values of energy show good approximation when are compared with similar calculations previously reported. Infrared spectra of monomers and dimers were obtained via theoretical calculations.
International Nuclear Information System (INIS)
Fouquet, T.
2007-01-01
In this work we present 2 important results. First, for a relatively moderate laser lighting (I*λ 2 ≅ 10 14 Wμm 2 /cm 2 ), cavitation appears in Langmuir decay instability (LDI) whenever the plasma wavelength is above a certain limit. Secondly, in the case of an inhomogeneous plasma there is an increase of the Raman reflectivity in presence of LDI for a plasma density profile that was initially smooth. This work is divided into 5 chapters. The first chapter is dedicated to parametric instabilities especially Raman instability and Langmuir decay instability. The equations that govern these instabilities as well as their numerical solutions are presented in the second chapter. The third chapter deals with the case of a mono-dimensional plasma with homogenous density. The saturation of the Raman instability in a mono-dimensional plasma with inhomogeneous density is studied in the fourth chapter. The last chapter is dedicated to bi-dimensional simulations for various types of laser beams
Theoretical studies of ionic conductivity of crosslinked chitosan membranes
Energy Technology Data Exchange (ETDEWEB)
Chavez, Ernesto Lopez [Programa de Ingenieria Molecular y Nuevos Materiales, Universidad Autonoma de la Ciudad de Mexico, Fray Servando Teresa de Mier 92, 1er. Piso, Col Centro, Mexico D.F. CP 06080 (Mexico); Oviedo-Roa, R.; Contreras-Perez, Gustavo; Martinez-Magadan, Jose Manuel [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas Norte 152, Col. San Bartolo Atepehuacan, CP 07730 Mexico D.F. (Mexico); Castillo-Alvarado, F.L. [Escuela Superior de Fisica y Matematicas del Instituto Politecnico Nacional, Edificio 9 de la UPALM, Colonia Lindavista, Mexico D.F. CP 07738 (Mexico)
2010-11-15
Ionic conductivity of crosslinked chitosan membranes was studied using techniques of molecular modeling and simulation. The COMPASS force field was used. The simulation allows the description of the mechanism of ionic conductivity along the polymer matrix. The theoretical results obtained are compared with experimental results for chitosan membranes. The analysis suggests that the conduction mechanism is portrayed by the overlapping large Polaron tunneling model. In addition, when the chitosan membrane was crosslinked with an appropriate degree of crosslinking its ionic conductivity, at room temperature, was increased by about one order of magnitude. The chitosan membranes can be used as electrolytes in solid state batteries, electric double layer capacitors and fuel cells. (author)
Theoretical Study of the Diastereofacial Isomers of Aldrin and Dieldrin
Directory of Open Access Journals (Sweden)
Zoran Zdravkovski
2006-02-01
Full Text Available The Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene givesaldrin but theoretically three other diastereofacial isomers are possible. On oxidation theseisomers can generate eight adducts one of which is known as dieldrin. All these, as well asthe corresponding reactions with hexafluorocyclopenadiene were studied by semiempirical(AM1 and PM3 and hybrid density functional (B3LYP methods. Besides the energy levels,the transition states were calculated for the reactions leading to the diastereofacial isomers ofaldrin, which indicate that aldrin is the favored product of the reaction both fromthermodynamic and kinetic point of view.
Theoretical study on perylene derivatives as fluorescent sensors for amines
Lathiotakis, Nektarios N.; Kerkines, Ioannis S. K.; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
2018-01-01
A theoretical study is presented on perylene diimide (PDI) and perylene monoimide (PMI) and their action as sensors of amines in solution. Density functional theory (DFT) and Time dependent DFT (TDDFT) calculations are carried out on complexes of PDI and PMI with aniline in THF solution. The optimized geometries for the complexes have aniline lying parallel above the perylene at 3.15 Å and with binding energy of 0.53 eV in the ground state. The results on the excited states are consistent with a photoinduced electron transfer (PET) mechanism. The effective aniline-perylene distance resulting from a Mulliken's approach is 3.61 Å.
Theoretical provisions for the discharge at TJ-1 (Preliminary study)
International Nuclear Information System (INIS)
Guasp, J.
1981-01-01
Using the transport code PLASMATOR a numerical study about the TJ-1 discharge (a Tokamak close to be installed at JEN) has been made, observing the behaviour under huge variations on the transport coefficients as well as on density and current. Noteworthy a scaling law of the kind τ E ∼n θ has been contested at not too high density, The model insensibility upon the initial values has been confirmed and the effects of variations on the recycling coefficient and the rate rise of current studied too. Finally comparisons with alternative models have been accomplished. (Author) 29 refs
Theoretical and experimental study of electroporation of red blood cells using MEMS technology
Deng, Peigang; Yin, Guangyao; Zhang, Tong Yi; Chang, Donald C.; Lee, Yi Kuen
2010-01-01
A theoretical and experimental study of electroporation (EP) of red blood cells (RBCs) was presented in this paper. With additional strain energy, an energy-based model of an electropore induced on a RBC's membrane at different electric fields was proposed to predict the critical EP electric field strength. In addition, EP experiments with red blood cells at single-cell level was carried out on a micro EP chip. The measured critical EP electric field strengths are in agreement with the numerical predictions. ©2010 IEEE.
Theoretical and experimental study of electroporation of red blood cells using MEMS technology
Deng, Peigang
2010-01-01
A theoretical and experimental study of electroporation (EP) of red blood cells (RBCs) was presented in this paper. With additional strain energy, an energy-based model of an electropore induced on a RBC\\'s membrane at different electric fields was proposed to predict the critical EP electric field strength. In addition, EP experiments with red blood cells at single-cell level was carried out on a micro EP chip. The measured critical EP electric field strengths are in agreement with the numerical predictions. ©2010 IEEE.
Experimental and theoretical studies of manganite and magnetite compounds
International Nuclear Information System (INIS)
Srinitiwarawong, Chatchai
2002-01-01
In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)
Theoretical study of near-threshold electron-molecule scattering
International Nuclear Information System (INIS)
Morrison, M.A.
1989-01-01
We have been engaged in carrying out a foundation study on problems pertaining to near-threshold nuclear excitations in e-H 2 scattering. The primary goals of this study are: to investigate the severity and nature of the anticipated breakdown of the adiabatic-nuclei (AN) approximation, first for rotation only (in the rigid-rotator approximation), and then for vibration; to determine a data base of accurate ab initio cross sections for this important system; to implement and test accurate, computationally-tractable model potentials for exchange and polarization effects; and to begin the exploration of alternative scattering theories for near-threshold collisions. This study has provided a well-defined theoretical context for our future investigations. Second, it has enabled us to identify and quantify several serious problems in the theory of near-threshold electron-molecule scattering that demand attention. And finally, it has led to the development of some of the theoretical and computational apparatus that will form the foundation of future work. In this report, we shall review our progress to date, emphasizing work completed during the current contract year. 17 refs., 5 figs., 1 tab
Strong correlation effects in theoretical STM studies of magnetic adatoms
Dang, Hung T.; dos Santos Dias, Manuel; Liebsch, Ansgar; Lounis, Samir
2016-03-01
We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111) surface, which are expected to represent the opposite limits of Kondo physics and local moment behavior, using a combination of density functional theory and both quantum Monte Carlo and exact diagonalization impurity solvers. We examine in detail the effects of temperature T , correlation strength U , and impurity d electron occupancy Nd on the local density of states. We also study the effective coherence energy scale, i.e., the Kondo temperature TK, which can be extracted from the STM spectra. Theoretical STM spectra are computed as a function of STM tip position relative to each adatom. Because of the multiorbital nature of the adatoms, the STM spectra are shown to consist of a complicated superposition of orbital contributions, with different orbital symmetries, self-energies, and Kondo temperatures. For a Mn adatom, which is close to half-filling, the STM spectra are featureless near the Fermi level. On the other hand, the quasiparticle peak for a Co adatom gives rise to strongly position-dependent Fano line shapes.
International Nuclear Information System (INIS)
Hanson, David E; Barber, John L
2013-01-01
The ultimate stress and strain of polyisoprene rubber were studied by numerical simulations of three-dimensional random networks, subjected to tensile strains high enough to cause chain rupture. Previously published molecular chain force extension models and a numerical network construction procedure were used to perform the simulations for network crosslink densities between 2 × 10 19 and 1 × 10 20 cm −3 , corresponding to experimental dicumyl-peroxide concentrations of 1–5 parts per hundred. At tensile failure (defined as the point of maximum stress), we find that the fraction of network chains ruptured is between 0.1% and 1%, depending on the crosslink density. The fraction of network chains that are taut, i.e. their end-to-end distance is greater than their unstretched contour length, ranges between 10% and 15% at failure. Our model predicts that the theoretical (defect-free) failure stress should be about twice the highest experimental value reported. For extensions approaching failure, tensile stress is dominated by the network morphology and purely enthalpic bond distortion forces and, in this regime, the model has essentially no free parameters. The average initial chain tortuosity (τ) appears to be an important statistical property of rubber networks; if the stress is scaled by τ and the tensile strain is scaled by τ −1 , we obtain a master curve for stress versus strain, valid for all crosslink densities. We derive an analytic expression for the average tortuosity, which is in agreement with values calculated in the simulations. (paper)
Numerical Study on Critical Wedge Angle of Cellular Detonation Reflections
International Nuclear Information System (INIS)
Gang, Wang; Kai-Xin, Liu; De-Liang, Zhang
2010-01-01
The critical wedge angle (CWA) for the transition from regular reflection (RR) to Mach reflection (MR) of a cellular detonation wave is studied numerically by an improved space-time conservation element and solution element method together with a two-step chemical reaction model. The accuracy of that numerical way is verified by simulating cellular detonation reflections at a 19.3° wedge. The planar and cellular detonation reflections over 45°–55° wedges are also simulated. When the cellular detonation wave is over a 50° wedge, numerical results show a new phenomenon that RR and MR occur alternately. The transition process between RR and MR is investigated with the local pressure contours. Numerical analysis shows that the cellular structure is the essential reason for the new phenomenon and the CWA of detonation reflection is not a certain angle but an angle range. (fundamental areas of phenomenology(including applications))
Theoretical study of the ionization of B2H5
International Nuclear Information System (INIS)
Curtiss, L.A.; Pople, J.A.
1989-01-01
Ab initio molecular orbital calculations at the G1 level of theory have been carried out on neutral B 2 H 5 radical, doubly bridged B 2 H + 5 cation, and the first triplet excited state of B 2 H + 5 . Singly bridged B 2 H 5 is 4.0 kcal/mol (without zero-point energies) more stable than doubly bridged B 2 H 5 . Based on this work and previous theoretical work on triply bridged B 2 H + 5 , ionization potentials (vertical and adiabatic) are determined for B 2 H 5 . The adiabatic ionization potentials of the two B 2 H 5 structures are 6.94 eV (singly bridged) and 7.53 eV (doubly bridged). A very large difference is found between the vertical and adiabatic ionization potentials (3.37 eV) of the singly bridged B 2 H 5 structure. The first triplet state of B 2 H + 5 is found to be 4.55 eV higher in energy than the lowest energy B 2 H + 5 cation (triply bridged). The results of this theoretical study support the interpretation of Ruscic, Schwarz, and Berkowitz of their recent photoionization measurements on B 2 H 5
Theoretical Studies of Strongly Interacting Fine Particle Systems
Fearon, Michael
Available from UMI in association with The British Library. A theoretical analysis of the time dependent behaviour of a system of fine magnetic particles as a function of applied field and temperature was carried out. The model used was based on a theory assuming Neel relaxation with a distribution of particle sizes. This theory predicted a linear variation of S_{max} with temperature and a finite intercept, which is not reflected by experimental observations. The remanence curves of strongly interacting fine-particle systems were also investigated theoretically. It was shown that the Henkel plot of the dc demagnetisation remanence vs the isothermal remanence is a useful representation of interactions. The form of the plot was found to be a reflection of the magnetic and physical microstructure of the material, which is consistent with experimental data. The relationship between the Henkel plot and the noise of a particulate recording medium, another property dependent on the microstructure, is also considered. The Interaction Field Factor (IFF), a single parameter characterising the non-linearity of the Henkel plot, is investigated. These results are consistent with a previous experimental study. Finally the results of the noise power spectral density for erased and saturated recording media are presented, so that characterisation of interparticle interactions may be carried out with greater accuracy.
THEORETICAL ANALYSIS STUDY OF FORMATION OF FUTURE LEGAL LAWYERS
Directory of Open Access Journals (Sweden)
Eugene Stepanovich Shevlakov
2015-09-01
Full Text Available The article deals with topical issues of formation of legal consciousness of future lawyers in high school. Obtained kinds of legal consciousness of future lawyers, determined its structure. Dedicated components of justice are mutually reinforcing, and provide an opportunity for further development of the personality of the future specialist, their personal growth.The purpose: to carry out theoretical analysis of the problem of formation of legal consciousness of future lawyers.The novelty is based. On the analysis of theoretical appro-aches of pedagogy, psychology, law, the notion of «lawfulness of the future of the law student», which is regarded as a form of social consciousness, which is a set of legal views and feelings, expressing the attitude to the law and legal phenomena that have regulatory in character and which includes know-ledge of legal phenomena and their evaluation from the point of view of fairness and justice, formed in the process of studying in the University.Results: this article analyzes different approaches to understanding the content and essence of the concept of legal consciousness of the legal profession. Define the types and structure of legal consciousness of future lawyers.
Analytical and numerical studies of creation probabilities of hierarchical trees
Directory of Open Access Journals (Sweden)
S.S. Borysov
2011-03-01
Full Text Available We consider the creation conditions of diverse hierarchical trees both analytically and numerically. A connection between the probabilities to create hierarchical levels and the probability to associate these levels into a united structure is studied. We argue that a consistent probabilistic picture requires the use of deformed algebra. Our consideration is based on the study of the main types of hierarchical trees, among which both regular and degenerate ones are studied analytically, while the creation probabilities of Fibonacci, scale-free and arbitrary trees are determined numerically.
Numerical study of a novel dew point evaporative cooling system
Energy Technology Data Exchange (ETDEWEB)
Riangvilaikul, B.; Kumar, S. [Energy Field of Study, School of Environment, Resources and Development, Asian Institute of Technology, P.O. Box 4, Klong Luang, Pathumthani 12120 (Thailand)
2010-11-15
Dew point evaporative cooling system is an alternative to vapor compression air conditioning system for sensible cooling of ventilation air. This paper presents the theoretical performance of a novel dew point evaporative cooling system operating under various inlet air conditions (covering dry, moderate and humid climate) and influence of major operating parameters (namely, velocity, system dimension and the ratio of working air to intake air). A model of the dew point evaporative cooling system has been developed to simulate the heat and mass transfer processes. The outlet air conditions and system effectiveness predicted by the model using numerical method for known inlet parameters have been validated with experimental findings and with recent literature. The model was used to optimize the system parameters and to investigate the system effectiveness operating under various inlet air conditions. (author)
A Combined Theoretical and Experimental Study for Silver Electroplating
Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong
2014-01-01
A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region.
Theoretical study of liquid droplet dispersion in a venturi scrubber.
Fathikalajahi, J; Talaie, M R; Taheri, M
1995-03-01
The droplet concentration distribution in an atomizing scrubber was calculated based on droplet eddy diffusion by a three-dimensional dispersion model. This model is also capable of predicting the liquid flowing on the wall. The theoretical distribution of droplet concentration agrees well with experimental data given by Viswanathan et al. for droplet concentration distribution in a venturi-type scrubber. The results obtained by the model show a non-uniform distribution of drops over the cross section of the scrubber, as noted by the experimental data. While the maximum of droplet concentration distribution may depend on many operating parameters of the scrubber, the results of this study show that the highest uniformity of drop distribution will be reached when penetration length is approximately equal to one-fourth of the depth of the scrubber. The results of this study can be applied to evaluate the removal efficiency of a venturi scrubber.
A Combined Theoretical and Experimental Study for Silver Electroplating
Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong
2014-01-01
A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region. PMID:24452389
Numerical studies of fermionic field theories at large-N
International Nuclear Information System (INIS)
Dickens, T.A.
1987-01-01
A description of an algorithm, which may be used to study large-N theories with or without fermions, is presented. As an initial test of the method, the spectrum of continuum QCD in 1 + 1 dimensions is determined and compared to previously obtained results. Exact solutions of 1 + 1 dimensional lattice versions of the free fermion theory, the Gross-Neveu model, and QCD are obtained. Comparison of these exact results with results from the numerical algorithm is used to test the algorithms, and more importantly, to determine the errors incurred from the approximations used in the numerical technique. Numerical studies of the above three lattice theories in higher dimensions are also presented. The results are again compared to exact solutions for free fermions and the Gross-Neveu model; perturbation theory is used to derive expansions with which the numerical results for QCD may be compared. The numerical algorithm may also be used to study the euclidean formulation of lattice gauge theories. Results for 1 + 1 dimensional euclidean lattice QCD are compared to the exact solution of this model
Theoretical study of excitonic complexes in semiconductors quantum wells
International Nuclear Information System (INIS)
Dacal, Luis Carlos Ogando
2001-08-01
A physical system where indistinguishable particles interact with each other creates the possibility of studying correlation and exchange effect. The simplest system is that one with only two indistinguishable particles. In condensed matter physics, these complexes are represented by charged excitons, donors and acceptors. In quantum wells, the valence band is not parabolic, therefore, the negatively charged excitons and donors are theoretically described in a simpler way. Despite the fact that the stability of charged excitons (trions) is known since the late 50s, the first experimental observation occurred only at the early 90s in quantum well samples, where their binding energies are one order of magnitude larger due to the one dimensional carriers confinement. After this, these complexes became the subject of an intense research because the intrinsic screening of electrical interactions in semiconductor materials allows that magnetic fields that are usual in laboratories have strong effects on the trion binding energy. Another rich possibility is the study of trions as an intermediate state between the neutral exciton and the Fermi edge singularity when the excess of doping carriers is increased. In this thesis, we present a theoretical study of charged excitons and negatively charged donors in GaAs/Al 0.3 Ga 0.7 As quantum wells considering the effects of external electric and magnetic fields. We use a simple, accurate and physically clear method to describe these systems in contrast with the few and complex treatments s available in the literature. Our results show that the QW interface defects have an important role in the trion dynamics. This is in agreement with some experimental works, but it disagrees with other ones. (author)
A Theoretical Study of Microwave Beam Absorption by a Rectenna
Ott, J. H.; Rice, J. S.; Thorn, D. C.
1981-01-01
The theoretical operational parameters for the workable satellite power system were examined. The system requirements for efficient transmission and reception of an environmentally benign microwave beam were determined.
Mechanical properties of jennite: A theoretical and experimental study
Energy Technology Data Exchange (ETDEWEB)
Moon, Juhyuk, E-mail: juhyuk.moon@stonybrook.edu [Civil Engineering Program, Department of Mechanical Engineering, Stony Brook University, NY 11794 (United States); Yoon, Seyoon [School of Engineering, Kings College, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom); Monteiro, Paulo J.M. [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)
2015-05-15
The objective of this study is to determine the mechanical properties of jennite. To date, several hypotheses have been proposed to predict the structural properties of jennite. For the first time as reported herein, the isothermal bulk modulus of jennite was measured experimentally. Synchrotron-based high-pressure x-ray diffraction experiments were performed to observe the variation of lattice parameters under pressure. First-principles calculations were applied to compare with the experimental results and predict additional structural properties. Accurately measured isothermal bulk modulus herein (K{sub 0} = 64(2) GPa) and the statistical assessment on experimental and theoretical results suggest reliable mechanical properties of shear and Young's modulus, Poisson's ratio, and elastic tensor coefficients. Determination of these fundamental structural properties is the first step toward greater understanding of calcium–silicate–hydrate, as well as provides a sound foundation for forthcoming atomic level simulations.
Theoretical and Experimental Study of Plasmonic Polymer Solar Cells
DEFF Research Database (Denmark)
Mirsafaei, Mina; Adam, Jost; Madsen, Morten
The organic bulk hetero-junction solar cell has remarkable advantages such as low cost, mechanical flexibility and simple process techniques. Recently, low-band gap photoactive materials have obtained a significant attention due to their potential to absorb a wider range of the solar spectrum...... to attain higher power conversion efficiencies. Many low-band gap photoactive materials, however, still show a relatively low external quantum efficiency of less than 60% [1]. One possible approach to improve the device performance is to increase the light absorption in the active layer. This may, amongst...... other approaches, be achieved by using nano- or micro-structures that trap light at specific wavelengths [2], or by using the localized surface plasmon resonance effect of metal nanoparticles in the devices. In this work, we theoretically studied planar polymer solar cell based on finite-difference time...
A theoretical-experimental study of backup bearings
DEFF Research Database (Denmark)
Lampe Linhares da Fonseca, Cesar Augusto
of two types of backup bearings, which are investigated experimentally and theoretically. The first type is a conventional ball bearing commonly used in industrial applications. The second is an unconventional bearing that, which contains pins inside the clearance for the rotor to impact on. The main...... both types of bearings for further investigation. Also, a full failure of the control and a rotor drop on the ball bearing as backup bearing is investigated by removing the magnetic forces. The nonlinear features of the dynamics of the rotor are assessed for different levels of unbalance. It has been...... radial forces. Remaining in this condition, it may lead to permanent damage or total failure of the machine. This is why the backup bearing design has to be carefully planned and investigated as to whether it helps to protect the integrity of the machine. This PhD thesis provides a comprehensive study...
Electrochemistry of chlorogenic acid: experimental and theoretical studies
Energy Technology Data Exchange (ETDEWEB)
Namazian, Mansoor [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)]. E-mail: namazian@yazduni.ac.ir; Zare, Hamid R. [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)
2005-08-10
Cyclic voltammetry, chronoamperometry and rotating disk electrode voltammetry as well as quantum chemical methods, are used for electrochemical study of chlorogenic acid, as an important biological molecule. The standard formal potential, diffusion coefficient, and heterogeneous electron transfer rate constant of chlorogenic acid in aqueous solution are investigated. Acidic dissociation constant of chlorogenic acid is also obtained. Quantum mechanical calculations on oxidation of chlorogenic acid in aqueous solution, using density functional theory are presented. The change of Gibbs free energy and entropy of oxidation of chlorogenic acid are calculated using thermochemistry calculations. The calculations in aqueous solution are carried out with the use of polarizable continuum solvation method. Theoretical standard electrode potential of chlorogenic acid is achieved to be 0.580 V versus standard calomel electrode (SCE) which is in agreement with the experimental value of 0.617 V obtained experimentally in this work. The difference is consistent with the values we previously reported for other quinone derivatives.
Theoretical Study of Irradiation Effects in Close Binaries
Directory of Open Access Journals (Sweden)
Srinivasa Rao, M.
2009-06-01
Full Text Available The effect of irradiation is studied in a close binary systemassuming that the secondary component is a point source, moving in a circularorbit. The irradiation effects are calculatedon the atmosphere of the primary component in a 3-dimensional Cartesiancoordinate geometry. In treating the reflection effect theoretically, the totalradiation $(S_mathrm{T}$ is obtained as the sum of the radiation of 1 the effect ofirradiation on the primary component which is calculated by using onedimensional rod model $(S_mathrm{r}$ and 2 the self radiation of the primarycomponent which is calculated by using the solution of radiative transferequation in spherical symmetry $(S_mathrm{s}$. The radiation field is estimated alongthe line of sight of the observer at infinity. It is shown how the radiationfield changes depending on the position of the secondary component.
Experimental and theoretical studies of buoyant-thermo capillary flow
International Nuclear Information System (INIS)
Favre, E.; Blumenfeld, L.; Soubbaramayer
1996-01-01
In the AVLIS process, uranium metal is evaporated using a high power electron gun. We have prior discussed the power balance equation in the electron beam evaporation process and pointed out, among the loss terms, the importance of the power loss due to the convective flow in the molten pool driven by buoyancy and thermo capillarity. An empirical formula has been derived from model experiments with cerium, to estimate the latter power loss and that formula can be used practically in engineering calculations. In order to complete the empirical approach, a more fundamental research program of theoretical and experimental studies have been carried out in Cea-France, with the objective of understanding the basic phenomena (heat transport, flow instabilities, turbulence, etc.) occurring in a convective flow in a liquid layer locally heated on its free surface
Theoretical and experimental study of a thruster discharging a weight
Michaels, Dan; Gany, Alon
2014-06-01
An innovative concept for a rocket type thruster that can be beneficial for spacecraft trajectory corrections and station keeping was investigated both experimentally and theoretically. It may also be useful for divert and attitude control systems (DACS). The thruster is based on a combustion chamber discharging a weight through an exhaust tube. Calculations with granular double-base propellant and a solid ejected weight reveal that a specific impulse based on the propellant mass of well above 400 s can be obtained. An experimental thruster was built in order to demonstrate the new idea and validate the model. The thruster impulse was measured both directly with a load cell and indirectly by using a pressure transducer and high speed photography of the weight as it exits the tube, with both ways producing very similar total impulse measurement. The good correspondence between the computations and the measured data validates the model as a useful tool for studying and designing such a thruster.
Theoretical and experimental studies of a magnetically actuated valveless micropump
International Nuclear Information System (INIS)
Ashouri, Majid; Shafii, Mohammad Behshad; Moosavi, Ali
2017-01-01
This paper presents the prototype design, fabrication, and characterization of a magnetically actuated micropump. The pump body consists of three nozzle/diffuser elements and two pumping chambers connected to the ends of a flat-wall pumping cylinder. A cylindrical permanent magnet placed inside the pumping cylinder acts as a piston which reciprocates by using an external magnetic actuator driven by a motor. The magnetic piston is covered by a ferrofluid to provide self-sealing capability. A prototype composed of three bonded layers of polymethyl-methacrylate (PMMA) has been fabricated. Water has been successfully pumped at pressures of up to 750 Pa and flow rates of up to 700 µ l min −1 while working at the piston actuation frequency of 4 and 5 Hz, respectively. 3D numerical simulations are also carried out to study the performance of the pump. The best experimental and numerical volumetric efficiency of the pump are about 7 and 8%, respectively, at the piston speed of 0.03 m s −1 . The contactless external actuation feature of the design enables integration of the pump with other PMMA-based microfluidic systems with low cost and disposability. (paper)
Phosphonic drugs: Experimental and theoretical spectroscopic studies of fosfomycin
Chruszcz-Lipska, Katarzyna; Zborowski, Krzysztof K.; Podstawka-Proniewicz, Edyta; Liu, Shaoxuan; Xu, Yizhuang; Proniewicz, Leonard M.
2011-02-01
pH and time-dependant changes of fosfomycin molecular structure in an aqueous solution are studied by Raman, NMR, and generalized 2D correlation spectroscopies. Interpretation of the experimental spectra is based on the assumption of formation of different species running on applied physicochemical conditions. Geometries of all possible structures were entirely optimized with the 6-311++G(2df,p) basis set at the B3LYP theoretical level using procedures implemented in the Gaussian '03 set of programs. Harmonic frequency calculations verified the nature of the studied structures and allowed to simulate obtained Raman spectra. The theoretical NMR shielding was calculated using the GIAO method at the same computational level. In addition, in some cases PCM model was used to monitor the influence of water molecules on the NMR spectra. It is shown that in the pH range of 1-2 of fosfomycin aqueous solution oxirane ring is open sequent to nucleophilic attack and forms 1,2-dihydroxyphosphonic acid with small content of its monodeprotonated species. On the other hand, in pH 7 and higher it appears either as 1,2-epoxypropylphosphonic or 1,2-dihydroxyphosphonic dianion depending upon whether hydrolysis took place or not. It is also discussed that Raman marker bands originating from the individual species of fosfomycin can be used to detect and/or to monitor this antibiotic in an aqueous medium (for example urine samples). Hence, depending upon the structure found in urine one can tell about metabolic processes of this antibiotic in the body.
International Nuclear Information System (INIS)
2006-10-01
Through the Nuclear Energy Department's Technical Working Group on Fast Reactors (TWG-FR), the IAEA provides a forum for exchange of information on national programmes, collaborative assessments, knowledge preservation, and cooperative research in areas agreed by the Member States with fast reactor and partitioning and transmutation development programmes (e.g. accelerator driven systems (ADS)). Trends in advanced fast reactor and ADS designs and technology development are periodically summarized in status reports, symposia, and seminar proceedings prepared by the IAEA to provide all interested IAEA Member States with balanced and objective information. The use of heavy liquid metals (HLM) is rapidly diffusing in different research and industrial fields. The detailed knowledge of the basic thermal hydraulics phenomena associated with their use is a necessary step for the development of the numerical codes to be used in the engineering design of HLM components. This is particularly true in the case of lead or lead-bismuth eutectic alloy cooled fast reactors, high power particle beam targets and in the case of the cooling of accelerator driven sub-critical cores where the use of computational fluid dynamic (CFD) design codes is mandatory. Periodic information exchange within the frame of the TWG-FR has lead to the conclusion that the experience in HLM thermal fluid dynamics with regard to both the theoretical/numerical and experimental fields was limited and somehow dispersed. This is the case, e.g. when considering turbulent exchange phenomena, free-surface problems, and two-phase flows. Consequently, Member States representatives participating in the 35th Annual Meeting of the TWG-FR (Karlsruhe, Germany, 22-26 April 2002) recommended holding a technical meeting (TM) on Theoretical and Experimental Studies of Heavy Liquid Metal Thermal Hydraulics. Following this recommendation, the IAEA has convened the Technical Meeting on Theoretical and Experimental Studies of
Theoretical study on the photoionization of metanal and fluoromethane
International Nuclear Information System (INIS)
Tanaka, Helder Kenji; Silveira, Tiago Rodrigues; Nascimento, Edmar Moraes do
2011-01-01
Full text. The photoionization study of biological interest molecules has increased last few years due to the basic interest in the fundamental nature of electronic structures and scattering molecular processes. It was considered to this study hypothesis in that simple molecules would give birth to more complex molecules through photochemical reactions induced by interstellar radiation. This paper shows a theoretical study over photoionization of the valence shells of some biological interest molecules. Cross sections and parameters of asymmetry are set due to ab initio, using the continued fractions method to determine the scattering matrix and wave functions of the continuum. Results will be presented to the valence shell photoionization of formaldehyde (CH 2 O) and fluoromethane (CH 3 F). This work is part of a larger project to study of biological interest molecules, motivated by the hypothesis that based on these simple molecules, physicochemical processes may have given origin to more complex molecules responsible for the production of terrestrial life. The formamide, for example, has been subject of interest between researchers as a possible material from which can be created RNA bases. In this case has been studied the production of guanine from the formamide heated while irradiated by ultraviolet radiation
Action of Molecular Switches in GPCRs - Theoretical and Experimental Studies
Trzaskowski, B; Latek, D; Yuan, S; Ghoshdastider, U; Debinski, A; Filipek, S
2012-01-01
G protein coupled receptors (GPCRs), also called 7TM receptors, form a huge superfamily of membrane proteins that, upon activation by extracellular agonists, pass the signal to the cell interior. Ligands can bind either to extracellular N-terminus and loops (e.g. glutamate receptors) or to the binding site within transmembrane helices (Rhodopsin-like family). They are all activated by agonists although a spontaneous auto-activation of an empty receptor can also be observed. Biochemical and crystallographic methods together with molecular dynamics simulations and other theoretical techniques provided models of the receptor activation based on the action of so-called “molecular switches” buried in the receptor structure. They are changed by agonists but also by inverse agonists evoking an ensemble of activation states leading toward different activation pathways. Switches discovered so far include the ionic lock switch, the 3-7 lock switch, the tyrosine toggle switch linked with the nPxxy motif in TM7, and the transmission switch. The latter one was proposed instead of the tryptophan rotamer toggle switch because no change of the rotamer was observed in structures of activated receptors. The global toggle switch suggested earlier consisting of a vertical rigid motion of TM6, seems also to be implausible based on the recent crystal structures of GPCRs with agonists. Theoretical and experimental methods (crystallography, NMR, specific spectroscopic methods like FRET/BRET but also single-molecule-force-spectroscopy) are currently used to study the effect of ligands on the receptor structure, location of stable structural segments/domains of GPCRs, and to answer the still open question on how ligands are binding: either via ensemble of conformational receptor states or rather via induced fit mechanisms. On the other hand the structural investigations of homo- and heterodimers and higher oligomers revealed the mechanism of allosteric signal transmission and receptor
Numerical and Experimental Study of Pump Sump Flows
Directory of Open Access Journals (Sweden)
Wei-Liang Chuang
2014-01-01
Full Text Available The present study analyzes pump sump flows with various discharges and gate submergence. Investigations using a three-dimensional large eddy simulation model and an acoustic Doppler velocimeter are performed. Flow patterns and velocity profiles in the approaching flow are shown to describe the flow features caused by various discharges and gate submergence. The variation of a large-scale spanwise vortex behind a sluice gate is examined and discussed. The suction effect on approaching flow near the pipe column is examined using numerical modeling. To gain more understanding of the vortices variation, a comparison between time-averaged and instantaneous flow patterns is numerically conducted. Additionally, swirl angle, a widely used index for evaluating pump efficiency, is experimentally and numerically examined under various flow conditions. The results indicate that the pump becomes less efficient with increasing discharge and gate submergence. The fluctuation of the free surface over the pump sump is also discussed.
Interdisciplinary Study of Numerical Methods and Power Plants Engineering
Directory of Open Access Journals (Sweden)
Ioana OPRIS
2014-08-01
Full Text Available The development of technology, electronics and computing opened the way for a cross-disciplinary research that brings benefits by combining the achievements of different fields. To prepare the students for their future interdisciplinary approach,aninterdisciplinary teaching is adopted. This ensures their progress in knowledge, understanding and ability to navigate through different fields. Aiming these results, the Universities introduce new interdisciplinary courses which explore complex problems by studying subjects from different domains. The paper presents a problem encountered in designingpower plants. The method of solvingthe problem isused to explain the numerical methods and to exercise programming.The goal of understanding a numerical algorithm that solves a linear system of equations is achieved by using the knowledge of heat transfer to design the regenerative circuit of a thermal power plant. In this way, the outcomes from the prior courses (mathematics and physics are used to explain a new subject (numerical methods and to advance future ones (power plants.
Numerical study of microphase separation in gels and random media
International Nuclear Information System (INIS)
Uchida, Nariya
2004-01-01
Microphase separation in gels and random media is numerically studied using a Ginzburg-Landau model. A random field destroys long-range orientational (lamellar) order and gives rise to a disordered bicontinuous morphology. The dependence of the correlation length on the field strength is distinct from that of random-field magnets
Numerical taxonomic studies of some tribes of Brassicaceae from Egypt
Abdel Khalik, K.; Maesen, van der L.J.G.; Koopman, W.J.M.; Berg, van den R.G.
2002-01-01
A systematic study of 45 taxa belonging to 23 genera of tribes Arabideae, Euclidieae, Hesperideae, Lunarieae, Matthioleae and Sisymbrieae of Brassicaceae from Egypt was conducted by means of numerical analysis based on sixty two morphological characters, including vegetative parts, pollen grains and
Experimental and numerical study of an autonomous flap
Bernhammer, L.O.; Navalkar, S.T.; Sodja, J.; De Breuker, R.; Karpel, M.
2015-01-01
This paper presents the experimental and numerical study of an autonomous load alleviation concept using trailing edge flaps. The flaps are autonomous units, which for instance can be used for gust load alleviation. The unit is self-powered and self-actuated through trailing edge tabs which are
Numerical study of cosmic censorship in string theory
International Nuclear Information System (INIS)
Gutperle, Michael; Kraus, Per
2004-01-01
Recently Hertog, Horowitz, and Maeda have argued that cosmic censorship can be generically violated in string theory in anti-de Sitter spacetime by considering a collapsing bubble of a scalar field whose mass saturates the Breitenlohner-Freedman bound. We study this system numerically, and find that black holes form rather than naked singularities, implying that cosmic censorship is upheld. (author)
Numerical study of cosmic censorship in string theory
Energy Technology Data Exchange (ETDEWEB)
Gutperle, Michael E-mail: gutperle@physics.ucla.edu; Kraus, Per
2004-04-01
Recently Hertog, Horowitz, and Maeda have argued that cosmic censorship can be generically violated in string theory in anti-de Sitter spacetime by considering a collapsing bubble of a scalar field whose mass saturates the Breitenlohner-Freedman bound. We study this system numerically, and find that black holes form rather than naked singularities, implying that cosmic censorship is upheld. (author)
Energy Technology Data Exchange (ETDEWEB)
Panicaud, B., E-mail: benoit.panicaud@utt.fr [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France); Chemkhi, M.; Roos, A.; Retraint, D. [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France)
2012-06-15
This paper analyses a recently developed duplex process combining nitriding with nanocrystallisation. A model is proposed to show how nitrogen diffusion mechanisms are modified within ferritic steels due to the nanostructure near the top surface. This model is based on micro-mechanical and micro-physical approaches, and also on the thermodynamics of irreversible processes. It takes into account size effects influencing the nitrogen diffusion, including mechanical stresses at the different length scales. Several models are investigated and numerical applications are performed. The results are compared to literature in order to demonstrate the generality of the present methodology.
International Nuclear Information System (INIS)
Ito, Kei; Kunugi, Tomoaki; Ohshima, Hiroyuki
2008-01-01
An onset condition of gas entrainment (GE) due to free surface vortex has been studied to establish a design of sodium-cooled fast reactor with a higher coolant velocity than conventional designs. Numerous investigations have been conducted experimentally and theoretically; however, the universal onset condition of the GE has not been determined yet due to the nonlinear characteristics of the GE. Recently, we have been studying numerical simulation methods as a promising method to evaluate GE, instead of the reliable but costly real-scale tests. In this paper, the applicability of the numerical simulation methods to the evaluation of the GE is discussed. For the purpose, a quasi-steady vortex in a cylindrical tank and a wake vortex (unsteady vortex) in a rectangular channel were numerically simulated using the volume-of-fluid type two-phase flow calculation method. The simulated velocity distributions and free surface shapes of the quasi-steady vortex showed good (not perfect, however) agreements with experimental results when a fine mesh subdivision and a high-order discretization scheme were employed. The unsteady behavior of the wake vortex was also simulated with high accuracy. Although the onset condition of the GE was slightly underestimated in the simulation results, the applicability of the numerical simulation methods to the GE evaluation was confirmed. (author)
International Nuclear Information System (INIS)
Ferreri, Juan C.; Ambrosini, Walter
1998-01-01
The theoretical results given by Pierre Welander are used to test the capability of the RELAP5 series of codes to predict instabilities in single-phase flow. These results are related to the natural circulation in a loop formed by two parallel adiabatic tubes with a point heat sink at the top and a point heat source at the bottom. A stability curve may be defined for laminar flow and was extended to consider turbulent flow. By a suitable selection of the ratio of the total buoyancy force in the loop to the friction resistance, the flow may show instabilities. The solution was useful to test two basic numerical properties of the RELAP5 code, namely: a) convergence to steady state flow-rate using a 'lumped parameter' approximation to both the heat source and sink and; b) the effect of nodalization to numerically damp the instabilities. It was shown that, using a single volume to lump the heat source and sink, it was not possible to reach convergence to steady state flow rate when the heated (cooled) length was diminished and the heat transfer coefficient increased to keep constant the total heat transferred to (and removed from) the fluid. An algebraic justification of these results is presented, showing that it is a limitation inherent to the numerical scheme adopted. Concerning the effect of nodalization on the damping of instabilities, it was shown that a 'reasonably fine' discretization led, as expected, to the damping of the solution. However, the search for convergence of numerical and theoretical results was successful, showing the expected nearly chaotic behavior. This search lead to very refined nodalization. The results obtained have also been verified by the use of simple, ad hoc codes. A procedure to assess the effects of nodalization on the prediction of instabilities threshold is outlined in this report. It is based on the experience gained with aforementioned simpler codes. (author)
Numerical simulation of gas metal arc welding parametrical study
International Nuclear Information System (INIS)
Szanto, M.; Gilad, I.; Shai, I.; Quinn, T.P.
2002-01-01
The Gas Metal Arc Welding (GMAW) is a widely used welding process in the industry. The process variables are usually determined through extensive experiments. Numerical simulation, reduce the cost and extends the understanding of the process. In the present work, a versatile model for numerical simulation of GMAW is presented. The model provides the basis for fundamental understanding of the process. The model solves the magneto-hydrodynamic equations for the flow and temperature fields of the molten electrode and the plasma simultaneously, to form a fully coupled model. A commercial CFD code was extended to include the effects of radiation, Lorentz forces, Joule heating and thermoelectric effects. The geometry of the numerical model assembled to fit an experimental apparatus. To demonstrate the method, an aluminum electrode was modeled in a pure argon arc. Material properties and welding parameters are the input variables in the numerical model. In a typical process, the temperature distribution of the plasma is over 15000 K, resulting high non-linearity of the material properties. Moreover, there is high uncertainty in the available property data, at that range of temperatures. Therefore, correction factors were derived for the material properties to adjust between the numerical and the experimental results. Using the compensated properties, parametric study was performed. The effects of the welding parameters on the process, such the working voltage, electrode feed rate and shielding gas flow, were derived. The principal result of the present work is the ability to predict, by numerical simulation, the mode, size and frequency of the metal transferred from the electrode, which is the main material and energy source for the welding pool in GMAW
Biofouling in forward osmosis systems: An experimental and numerical study.
Bucs, Szilárd S; Valladares Linares, Rodrigo; Vrouwenvelder, Johannes S; Picioreanu, Cristian
2016-12-01
This study evaluates with numerical simulations supported by experimental data the impact of biofouling on membrane performance in a cross-flow forward osmosis (FO) system. The two-dimensional numerical model couples liquid flow with solute transport in the FO feed and draw channels, in the FO membrane support layer and in the biofilm developed on one or both sides of the membrane. The developed model was tested against experimental measurements at various osmotic pressure differences and in batch operation without and with the presence of biofilm on the membrane active layer. Numerical studies explored the effect of biofilm properties (thickness, hydraulic permeability and porosity), biofilm membrane surface coverage, and biofilm location on salt external concentration polarization and on the permeation flux. The numerical simulations revealed that (i) when biofouling occurs, external concentration polarization became important, (ii) the biofilm hydraulic permeability and membrane surface coverage have the highest impact on water flux, and (iii) the biofilm formed in the draw channel impacts the process performance more than when formed in the feed channel. The proposed mathematical model helps to understand the impact of biofouling in FO membrane systems and to develop possible strategies to reduce and control biofouling. Copyright © 2016 Elsevier Ltd. All rights reserved.
Biofouling in forward osmosis systems: An experimental and numerical study
Bucs, Szilard
2016-09-20
This study evaluates with numerical simulations supported by experimental data the impact of biofouling on membrane performance in a cross-flow forward osmosis (FO) system. The two-dimensional numerical model couples liquid flow with solute transport in the FO feed and draw channels, in the FO membrane support layer and in the biofilm developed on one or both sides of the membrane. The developed model was tested against experimental measurements at various osmotic pressure differences and in batch operation without and with the presence of biofilm on the membrane active layer. Numerical studies explored the effect of biofilm properties (thickness, hydraulic permeability and porosity), biofilm membrane surface coverage, and biofilm location on salt external concentration polarization and on the permeation flux. The numerical simulations revealed that (i) when biofouling occurs, external concentration polarization became important, (ii) the biofilm hydraulic permeability and membrane surface coverage have the highest impact on water flux, and (iii) the biofilm formed in the draw channel impacts the process performance more than when formed in the feed channel. The proposed mathematical model helps to understand the impact of biofouling in FO membrane systems and to develop possible strategies to reduce and control biofouling. © 2016 Elsevier Ltd
Numerical and algebraic studies for the control of finite-dimensional quantum systems
International Nuclear Information System (INIS)
Sander, Uwe
2010-01-01
In this thesis, two aspects of control theory, namely controllability and optimal control, are applied to quantum systems. The presented results are based on group theoretical techniques and numerical studies. By Lie-algebraic analysis, the controllability properties of systems with an arbitrary topology are described and related to the symmetries existing in these systems. We find that symmetry precludes full controllability. Our work investigates well-known control systems and gives rules for the design of new systems. Furthermore, theoretical and numerical concepts are instrumental to studying quantum channels: Their capacities are optimised using gradient flows on the unitary group in order to find counterexamples to a long-established additivity conjecture. The last part of this thesis presents and benchmarks a modular optimal control algorithm known as GRAPE. Numerical tests show how the interplay of its modules can be optimised for higher performance, and how the algorithm performs in comparison to a Krotov-type optimal control algorithm. It is found that GRAPE performs particularly well when aiming for high qualities. (orig.)
Numerical and algebraic studies for the control of finite-dimensional quantum systems
Energy Technology Data Exchange (ETDEWEB)
Sander, Uwe
2010-11-18
In this thesis, two aspects of control theory, namely controllability and optimal control, are applied to quantum systems. The presented results are based on group theoretical techniques and numerical studies. By Lie-algebraic analysis, the controllability properties of systems with an arbitrary topology are described and related to the symmetries existing in these systems. We find that symmetry precludes full controllability. Our work investigates well-known control systems and gives rules for the design of new systems. Furthermore, theoretical and numerical concepts are instrumental to studying quantum channels: Their capacities are optimised using gradient flows on the unitary group in order to find counterexamples to a long-established additivity conjecture. The last part of this thesis presents and benchmarks a modular optimal control algorithm known as GRAPE. Numerical tests show how the interplay of its modules can be optimised for higher performance, and how the algorithm performs in comparison to a Krotov-type optimal control algorithm. It is found that GRAPE performs particularly well when aiming for high qualities. (orig.)
Status of the theoretical study of microwave heating in EBT
International Nuclear Information System (INIS)
Batchelor, D.B.
1978-09-01
The basic strategy of the theoretical study of microwave heating in the ELMO Bumpy Torus (EBT) is outlined and the current status of the various aspects of the study is described. There are four broad areas which are being investigated: (1) heating and wave damping mechanisms, (2) the geometrical optics of microwave propagation in EBT, (3) reflection and mode conversion effects at regions such as cutoff and resonances where the geometrical optics approximation breaks down, and (4) nonlinear effects such as ponderamotive effects and parametric decay. Details are given of the geometrical optics code which has been developed to do ray tracing in arbitrary three dimensional (3-D) plasma equilibria. Examples are given for plasma parameters characteristic of EBT-I and EBT-II. Details are also given of the stochastic heating model currently in use with the 1-D transport code and of the linear wave damping model used in the ray tracing code. The most pressing problems of physics yet to be addressed and the directions for future work are indicated
Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies
International Nuclear Information System (INIS)
Amaral, Luísa M.P.F.; Santos, Ana Filipa L.O.M.; Ribeiro da Silva, Maria das Dores M.C.; Notario, Rafael
2013-01-01
Highlights: ► Study on the Energetics of the sarcosine and sarcosine anhydride. ► Experimental and computational thermochemistry of sarcosine and its anhydride. ► Ab initio calculations for two amino acid derivatives by G3(MP2)//B3LYP method. -- Abstract: The standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, of sarcosine, −(388.0 ± 1.0) kJ · mol −1 , and sarcosine anhydride, −(334.5 ± 1.6) kJ · mol −1 , were calculated by combining, for each compound, the standard molar enthalpy of formation, in the crystalline phase, and the standard molar enthalpy of sublimation, derived from measurements of the standard massic energies of combustion by static bomb combustion calorimetry, and from measurements of vapour pressures by the Knudsen mass-loss effusion method, respectively. The standard (p o = 0.1 MPa) molar enthalpies, entropies and Gibbs functions of sublimation, at T = 298.15 K, were also calculated. A theoretical study at the G3 and G4 levels has been carried out, and the calculated enthalpies of formation have been compared with the experimental ones
Theoretical and experimental study of non-monotonous effects
International Nuclear Information System (INIS)
Delforge, J.
1977-01-01
In recent years, the study of the effects of low dose rates has expanded considerably, especially in connection with current problems concerning the environment and health physics. After having made a precise definition of the different types of non-monotonous effect which may be encountered, for each the main experimental results known are indicated, as well as the principal consequences which may be expected. One example is the case of radiotherapy, where there is a chance of finding irradiation conditions such that the ratio of destructive action on malignant cells to healthy cells is significantly improved. In the second part of the report, the appearance of these phenomena, especially at low dose rates are explained. For this purpose, the theory of transformation systems of P. Delattre is used as a theoretical framework. With the help of a specific example, it is shown that non-monotonous effects are frequently encountered, especially when the overall effect observed is actually the sum of several different elementary effects (e.g. in survival curves, where death may be due to several different causes), or when the objects studied possess inherent kinetics not limited to restoration phenomena alone (e.g. cellular cycle) [fr
Numerical and experimental study of two turbulent opposed plane jets
Energy Technology Data Exchange (ETDEWEB)
Besbes, Sonia; Mhiri, Hatem [Laboratoire de Mecanique des Fluides et Thermique, Ecole Nationale d' Ingenieurs de Monastir, Route de Ouardanine, Monastir (Tunisia); Le Palec, Georges; Bournot, Philippe [Institut de Mecanique de Marseille, UNIMECA, Technopole de Chateau-Gombert, 60 rue Joliot-Curie, 13453 Marseille (France)
2003-09-01
The turbulent interaction between two opposed plane jets separated by a distance H is experimentally studied by using a PIV (Particle Image Velocimetry) method and numerically investigated by means of a finite volume code. Two turbulence models have been tested: the standard k-{epsilon} model and a second-order model. The validation of the numerical study was performed by comparing the results with experimental data obtained for the case of two interacting opposed jets at ambient temperature (isothermal case). The effect of the angle of inclination of the jets is studied. Conclusions of the validation are then used to study the interaction between two jets, one being maintained at ambient temperature whereas the other is heated. Results show that the stagnation point moves towards the heated jet. It is shown that the heating induces a stabilizing effect on the flow. (orig.)
International Nuclear Information System (INIS)
Choi, B.H.; Tang, K.T.
1975-01-01
The close coupled differential equations for rotational excitation in collisions between an atom and a diatomic molecule are reformulated. Although it is equivalent to other formulations, it is computationally more convenient and gives a simpler expression for differential cross sections. Questions concerning real boundary conditions and the unitarity of the S matrix are discussed. Stormer's algorithm for solving coupled differential equations is introduced for molecular scatterings. This numerical procedure, which is known to be very useful in nuclear scattering problems, has to be modified for molecular systems. It is capable of treating the case where all channels are open as well as the case where some of the channels are closed. This algorithm is compared with other typical procedures of solving coupled differential equations
Experimental and theoretical studies on a novel helical architecture ...
Indian Academy of Sciences (India)
aKey Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory ... bInstitute for Computation in Molecular and Material Science, School of Chemical Engineering, Nanjing ... mental and theoretical points of view is still largely.
Theoretical Study of the Compound Parabolic Trough Solar Collector
Dr. Subhi S. Mahammed; Dr. Hameed J. Khalaf; Tadahmun A. Yassen
2012-01-01
Theoretical design of compound parabolic trough solar collector (CPC) without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67)% at mass flow rate between (0.02-0.03) kg/s at concentration ratio of (3.8) without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.
Bokarev, Sergey; Efimov, Stefan
2017-11-01
In the present article, we report results of a laboratory experimental study of reinforced-concrete superstructure fragments with extended longitudinal boxing sidewalls. The study included laboratory tests and numerical experiments performed using a finite element model of fragments generated in specialized simulation software. The distribution of horizontal pressures over the height of longitudinal boxing sidewalls, the dependence of the bending moment in the root section of the sidewalls on the ballast-bed thickness under sleepers, and some other characteristics were examined. The results of the experimental and theoretical study have shown a good convergence of obtained data to each other and to the data obtained by an improved engineering calculation procedure proposed by the present authors.
International Nuclear Information System (INIS)
Arutunjan, R.V.; Bolshov, L.A.; Vitukov, V.V.; Goloviznin, V.M.; Dykhne, A.M.; Kiselev, V.P.; Klementova, S.V.; Krayushkin, I.E.; Moskovchenko, A.V.; Pismennii, V.D.; Popkov, A.G.; Chernov, S.Y.; Chudanov, V.V.; Khoruzhii, O.V.; Yudin, A.I.
1990-01-01
Migration of fuel fragments and core fission products during severe accidents on nuclear plants is studied analytically and numerically. The problems of heat transfer and migration of volume heat sources in construction materials and underlying soils are considered
Energy Technology Data Exchange (ETDEWEB)
Kako, T.; Watanabe, T. [eds.
2000-06-01
This is the proceeding of 'study on numerical methods related to plasma confinement' held in National Institute for Fusion Science. In this workshop, theoretical and numerical analyses of possible plasma equilibria with their stability properties are presented. There are also various lectures on mathematical as well as numerical analyses related to the computational methods for fluid dynamics and plasma physics. Separate abstracts were presented for 13 of the papers in this report. The remaining 6 were considered outside the subject scope of INIS. (J.P.N.)
A theoretical study for thorium monocarbide (ThC)
International Nuclear Information System (INIS)
Aydin, S.; Tatar, A.; Ciftci, Y.O.
2012-01-01
Highlights: ► We focused on high pressure behavior of ThC. ► ThC is metallic, and mechanically stable. ► The obtained results agree with the other available values. ► ThC is hard material, and hardness increases properly with pressure. - Abstract: The structural, mechanical, electronic and thermodynamic properties of thorium monocarbide (ThC) with NaCl-type structure have been investigated by using first-principles plane wave density functional calculations with GGA, LDA and LDA + U functionals. It is shown that calculated equilibrium structural parameters of ThC are in agreement with the experimental results. It is seen from calculated single-crystal elastic constants that ThC with NaCl-type structure is mechanically stable. And from calculated density of states and band structure, it is observed that ThC is metallic. After the properties at 0 GPa are clarified, pressure dependency of the structural parameters, the elastic properties and related mechanical properties, density of states (DOS) and hardness are studied. Furthermore, the thermodynamic properties of ThC are obtained from the quasi-harmonic Debye model (QHM) over high pressure and temperature ranges for three functionals. The results are compared to each other, and the available experimental and theoretical data.
A theoretical study for thorium monocarbide (ThC)
Energy Technology Data Exchange (ETDEWEB)
Aydin, S.; Tatar, A. [Gazi University, Department of Physics, Teknikokullar 06500, Ankara (Turkey); Ciftci, Y.O., E-mail: yasemin@gazi.edu.tr [Gazi University, Department of Physics, Teknikokullar 06500, Ankara (Turkey)
2012-10-15
Highlights: Black-Right-Pointing-Pointer We focused on high pressure behavior of ThC. Black-Right-Pointing-Pointer ThC is metallic, and mechanically stable. Black-Right-Pointing-Pointer The obtained results agree with the other available values. Black-Right-Pointing-Pointer ThC is hard material, and hardness increases properly with pressure. - Abstract: The structural, mechanical, electronic and thermodynamic properties of thorium monocarbide (ThC) with NaCl-type structure have been investigated by using first-principles plane wave density functional calculations with GGA, LDA and LDA + U functionals. It is shown that calculated equilibrium structural parameters of ThC are in agreement with the experimental results. It is seen from calculated single-crystal elastic constants that ThC with NaCl-type structure is mechanically stable. And from calculated density of states and band structure, it is observed that ThC is metallic. After the properties at 0 GPa are clarified, pressure dependency of the structural parameters, the elastic properties and related mechanical properties, density of states (DOS) and hardness are studied. Furthermore, the thermodynamic properties of ThC are obtained from the quasi-harmonic Debye model (QHM) over high pressure and temperature ranges for three functionals. The results are compared to each other, and the available experimental and theoretical data.
Theoretical Study of Triatomic Systems Involving Helium Atoms
International Nuclear Information System (INIS)
Suno, H.; Hiyama, E.; Kamimura, M.
2013-01-01
The triatomic 4 He system and its isotopic species 4 He 2 3 He are theoretically investigated. By adopting the best empirical helium interaction potentials, we calculate the bound state energy levels as well as the rates for the three-body recombination processes: 4 He + 4 He + 4 He → 4 He 2 + 4 He and 4 He + 4 He + 3 He → 4 He 2 + 3 He. We consider not only zero total angular momentum J = 0 states, but also J > 0 states. We also extend our study to mixed helium-alkali triatomic systems, that is 4 He 2 X with X = 7 Li, 23 Na, 39 K, 85 Rb, and 133 Cs. The energy levels of all the J ≥ 0 bound states for these species are calculated as well as the rates for three-body recombination processes such as 4 He + 4 He + 7 Li → 4 He 2 + 7 Li and 4 He + 4 He + 7 Li → 4 He 7 Li + 4 He. In our calculations, the adiabatic hyperspherical representation is employed but we also obtain preliminary results using the Gaussian expansion method. (author)
A theoretical and spectroscopic study of conformational structures of piroxicam
Souza, Kely Ferreira de; Martins, José A.; Pessine, Francisco B. T.; Custodio, Rogério
2010-02-01
Piroxicam (PRX) has been widely studied in an attempt to elucidate the causes and mechanisms of its side effects, mainly the photo-toxicity. In this paper fluorescence spectra in non-protic solvents and different polarities were carried out along with theoretical calculations. Preliminary potential surfaces of the keto and enol forms were obtained at AM1 level of theory providing the most stable conformers, which had their structure re-optimized through the B3LYP/CEP-31G(d,p) method. From the optimized structures, the electronic spectra were calculated using the TD-DFT method in vacuum and including the solvent effect through the PCM method and a single water molecule near PRX. A new potential surface was constructed to the enol tautomer at DFT level and the most stable conformers were submitted to the QST2 calculations. The experimental data showed that in apolar media, the solution fluorescence is raised. Based on conformational analysis for the two tautomers, keto and enol, the results indicated that the PRX-enol is the main tautomer related to the drug fluorescence, which is reinforced by the spectra results, as well as the interconvertion barrier obtained from the QST2 calculations. The results suggest that the PRX one of the enol conformers presents great possibility of involvement in the photo-toxicity mechanisms.
Experimental and theoretical study of Co sorption in clay montmorillonites
Gil Rebaza, A. V.; Montes, M. L.; Taylor, M. A.; Errico, L. A.; Alonso, R. E.
2018-03-01
Montmorillonite (MMT) clays are 2:1 layered structures which in natural state may allocate different hydrated cations such as M-nH2O (M = Na, Ca, Fe, etc) in its interlayer space. Depending on the capability for ion sorption, these materials are interesting for environmental remediation. In this work we experimentally study the Co sorption in a natural Na-MMT using UV-visible spectrometry and XRD on semi-oriented samples, and then analyze the sorption ability of this clay by means of ab initio calculation performed on pristine MMT. The structural properties of Na-MMT and Co-adsorbed MMT, and the hyperfine parameters at different atomic sites were analyzed and compared with the experimental ones for the first, and for the case of the hyperfine parameters, presented for the first time for the last. The theoretical predictions based on total energy considerations confirm that Co incorporation replacing Na is energetically favorable. Also, the basal spacing d001 experimentally obtained is well reproduced.
Strategic Step for Environmental Rescue: A Theoretical Legal Studies
Directory of Open Access Journals (Sweden)
Bambang Sutrisno
2014-01-01
Full Text Available Indonesia is among the developing countries that are struggling to develop in the field of industrial development. The logical consequence of any development process, especially industrial development is the emergence of associated impacts that greatly affect the durability and sustainability of the environment. Developing the equitable industry in order to create public welfare is important. However, maintaining the security and preservation of the environment is also very important, because it is only with the availability of a good environment and healthy living that human beings can perform daily living. The availability of good and healthy environment is the constitutional responsibility of the government, as well as part of the human rights of all citizens which must be given by the State. Efforts to create a good environment and healthy living will be effective if controlled by State government and institutions who understand the objective conditions on the ground. In this regard, the granting of the authority on environmental control to regional government autonomously is the right, very smart policy choice. How To Cite: Sutrisno, B. (2016. Strategic Step for Environmental Rescue: A Theoretical Legal Studies. Rechtsidee, 1(1, 27-58. doi:http://dx.doi.org/10.21070/jihr.v1i1.98
Theoretical studies of potential energy surfaces and computational methods
Energy Technology Data Exchange (ETDEWEB)
Shepard, R. [Argonne National Laboratory, IL (United States)
1993-12-01
This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.
Theoretical studies of the reactions of HCN with atomic hydrogen
International Nuclear Information System (INIS)
Bair, R.A.; Dunning, T.H. Jr.
1985-01-01
A comprehensive theoretical study has been made of the energetics of the important pathways involved in the reaction of hydrogen atoms with hydrogen cyanide. For each reaction ab initio GVB-CI calculations were carried out to determine the structures and vibrational frequencies of the reactants, transition states, and products; then POL-CI calculations were carried out to more accurately estimate the electronic contribution to the energetics of the reactions. The hydrogen abstraction reaction is calculated to be endoergic by 24 kcal/mol [expt. ΔH (0 K) = 16--19 kcal/mol] with a barrier of 31 kcal/mol in the forward direction and 6 kcal/mol in the reverse direction. For the hydrogen addition reactions, addition to the carbon atom is calculated to be exoergic by 19 kcal/mol with a barrier of 11 kcal/mol, while addition to the nitrogen center is essentially thermoneutral with a barrier of 17 kcal/mol. Calculations were also carried out on the isomerization reactions of the addition products. The cis→trans isomerization of HCNH has a barrier of only 10 kcal/mol with the trans isomer being more stable by 5 kcal/mol. The (1,2)-hydrogen migration reaction, converting H 2 CN to trans-HCNH, is endoergic by only 14 kcal/mol, but the calculated barrier for the transfer is 52 kcal/mol. The energy of the migration pathway thus lies above that of the dissociation--recombination pathway
Theoretical study of reactions at the electrode-electrolyte interface
International Nuclear Information System (INIS)
Halley, J.W.
1994-01-01
Electron transfer rates are predicted by numerical methods, in collaboration with ANL. Emphasis is on electron transfer involving ions known to be important in enhancing stress corrosion cracking in light water reactors and on electron transfer at oxide surfaces. We have completed studies of the ferrous-ferric electron transfer rate in which effects of electric field, entropic effects in the free energy and quantum effects are included for the first time in the calculation of the rate of an electrochemical (heterogeneous) reaction rate. These new results confirm assumptions made in earlier calculations. The ferric ion has been modelled in a dissociable polarizable model showing the six-fold coordination of this ion in aqueous solution is stabilized by the three body interactions arising from the polarizability of water. In our studies of oxides, we have completed a Hartree self consistent calculation of the electronic structure of fayalite. The calculation utilizes a new method which takes phenomenological account of local electron correlations which have plagued electronic structure calculations of oxides for a long time. No electronic structure calculation of fayalite has been previously reported to our knowledge. Similar methods have been used to calculate the electronic structure of a vacancy in rutile (TiO 2 ). Results show that the screening donor electrons are anisotropically distributed around the vacancy
International Nuclear Information System (INIS)
Piran, T.
1982-01-01
There are many recent developments in numerical relativity, but there remain important unsolved theoretical and practical problems. The author reviews existing numerical approaches to solution of the exact Einstein equations. A framework for classification and comparison of different numerical schemes is presented. Recent numerical codes are compared using this framework. The discussion focuses on new developments and on currently open questions, excluding a review of numerical techniques. (Auth.)
Directory of Open Access Journals (Sweden)
RADULESCU V.
2015-03-01
Full Text Available The paper is structured in seven parts, the last for few conclusions and finally some references. It is based on concrete measurements and observation during around 2 years. First is presented an introduction of the actual situation. In part two are mentioned the methods and hypotheses in evaluation of wind velocity distribution in boundary layers for atmospheric air, taking into account the roughness of ground surfaces. It is mentioned a concrete area, south part of Moldova. In third part is presented a solution for the geodetic model and finally are selected the altimetry solution. In chapter four is determined the influence of air density, temperature and pressure on wind turbine functioning. In the next chapters are presented the numerical model with special boundary conditions, taking into account different value of roughness and finally the obtained results. It is also estimated velocity variation during day-night. Finally is presented the vertical distribution of horizontal wind velocity for a wind farm, obviously important due the power of turbine (around 3 MW each one. Some conclusions and references are also mentioned.
Numerical Studies of a Fluidic Diverter for Flow Control
Gokoglu, Suleyman A.; Kuczmarski, Maria A.; Culley, Dennis E.; Raghu, Surya
2009-01-01
The internal flow structure in a specific fluidic diverter is studied over a range from low subsonic to sonic inlet conditions by a time-dependent numerical analysis. The understanding will aid in the development of fluidic diverters with minimum pressure losses and advanced designs of flow control actuators. The velocity, temperature and pressure fields are calculated for subsonic conditions and the self-induced oscillatory behavior of the flow is successfully predicted. The results of our numerical studies have excellent agreement with our experimental measurements of oscillation frequencies. The acoustic speed in the gaseous medium is determined to be a key factor for up to sonic conditions in governing the mechanism of initiating the oscillations as well as determining its frequency. The feasibility of employing plasma actuation with a minimal perturbation level is demonstrated in steady-state calculations to also produce oscillation frequencies of our own choosing instead of being dependent on the fixed-geometry fluidic device.
Theoretical study of incoherent φ photoproduction on a deuteron target
International Nuclear Information System (INIS)
Sekihara, T.; Martinez Torres, A.; Jido, D.; Oset, E.
2012-01-01
We study the photoproduction of φ mesons in deuteron, paying attention to the modification of the cross-section from bound protons to the free ones. For this purpose we take into account Fermi motion in single scattering and rescattering of φ to account for φ absorption on a second nucleon as well as the rescattering of the proton on the neutron. We find that the contribution of the double scattering for φ is much smaller than the typical cross-section of γp→φp in free space, which implies a very small screening of the φ production in deuteron. The contribution from the proton rescattering, on the other hand, is found to be not negligible compared to the cross-section of γp→φp in free space, and leads to a moderate reduction of the φ photoproduction cross-section on a deuteron at forward angles if the LEPS set-up is taken into account. The Fermi motion allows contribution of the single scattering in regions forbidden by phase-space in the free case. In particular, we find that for momentum transfer squared close to the maximum value, the Fermi motion changes drastically the shape of dσ/dt, to the point that the ratio of this cross-section to the free one becomes very sensitive to the precise value of t chosen, or the size of the bin used in an experimental analysis. Hence, this particular region of t does not seem to be the most indicated to find effects of a possible φ absorption in the deuteron. This reaction is studied theoretically as a function of t and the results are contrasted with recent experiments at LEPS and Jefferson Lab. The effect of the experimental angular cuts at LEPS is also discussed, providing guidelines for future experimental analyses of the reaction. (orig.)
Numerical study of dense adjoint 2-color matter
International Nuclear Information System (INIS)
Hands, S.; Scorzato, L.; Oevers, M.
2000-11-01
We study the global symmetries of SU(2) gauge theory with N flavors of staggered fermions in the presence of a chemical potential. We motivate the special interest of the case N=1 (staggered) with fermions in the adjoint representation of the gauge group. We present results from numerical simulations with both hybrid Monte Carlo and the two-step multi-bosonic algorithm. (orig.)
Numerical study of ion thermal gradient driven modes
International Nuclear Information System (INIS)
Garbet, X.; Laurent, L.; Mourgues, F.; Samain, A.
1987-01-01
Anomalous ion thermal confinement has been observed in tokamaks (1). The ion temperature gradient driven modes could provide a possible explanation of this fact. The goal of this paper is to examine the stability of such modes by a linear, analytical and numerical study. The value of the threshold parameter and the radial profiles of the modes are computed. The effects of the particles vertical drift due to the field curvature are discussed
Dispersion of helically corrugated waveguides: Analytical, numerical, and experimental study
International Nuclear Information System (INIS)
Burt, G.; Ronald, K.; Young, A.R.; Phelps, A.D.R.; Cross, A.W.; Konoplev, I.V.; He, W.; Thomson, J.; Whyte, C.G.; Samsonov, S.V.; Denisov, G.G.; Bratman, V.L.
2004-01-01
Helically corrugated waveguides have recently been studied for use in various applications such as interaction regions in gyrotron traveling-wave tubes and gyrotron backward-wave oscillators and as a dispersive medium for passive microwave pulse compression. The paper presents a summary of various methods that can be used for analysis of the wave dispersion of such waveguides. The results obtained from an analytical approach, simulations with the three-dimensional numerical code MAGIC, and cold microwave measurements are analyzed and compared
Analytical and numerical study of microswimming using the 'bead-spring model'
Pande, Jayant
2016-01-01
In this thesis we use the bead-spring microswimmer design as a model system to study mechanical microswimming. The basic form of such a swimmer was introduced as the 'three-sphere swimmer' in Najafi & Golestanian, Phys. Rev. E (2004) and has found wide use in theoretical, numerical and experimental research. In our work, we have modified and extended the model in various ways, which, as explained in this thesis, allow us to gain insight into many general principles of microswimming, for insta...
A Numerical Study on Laminar Free Convection between Vertical Flat Plates with Symmetric Heating
Directory of Open Access Journals (Sweden)
Ameer A. Jadoaa
2012-06-01
Full Text Available The development of free convection in a viscous fluid between heated plates is investigated. The basic governing continuity, momentum, and energy equations are solved numerically by finite difference method. Results are obtained for the variations of Nusselt number, velocity, temperature, and pressure throughout the flow field assuming the fluid to enter the channel with ambient temperature and a flat velocity profile. The flow and heat-transfer characteristics of the channel are studied and a development height established. Heating plate condition is (C.W.T and C.H.F. An correlation equation has been deduced for the average Nusselt number as a function of Rayligt number. A comparison is made between the results of this theoretical investigation and theoretical work of (Bodoia, J.R 1962[1].
Theoretical Studies Of Nucleation Kinetics And Nanodroplet Microstructure
International Nuclear Information System (INIS)
Wilemski, Gerald
2009-01-01
The goals of this project were to (1) explore ways of bridging the gap between fundamental molecular nucleation theories and phenomenological approaches based on thermodynamic reasoning, (2) test and improve binary nucleation theory, and (3) provide the theoretical underpinning for a powerful new experimental technique, small angle neutron scattering (SANS) from nanodroplet aerosols, that can probe the compositional structure of nanodroplets. This report summarizes the accomplishments of this project in realizing these goals. Publications supported by this project fall into three general categories: (1) theoretical work on nucleation theory (2) experiments and modeling of nucleation and condensation in supersonic nozzles, and (3) experimental and theoretical work on nanodroplet structure and neutron scattering. These publications are listed and briefly summarized in this report.
Numerical study of droplet impact and rebound on superhydrophobic surface
Cai, Xuan; Wu, Yanchen; Woerner, Martin; Frohnapfel, Bettina
2017-11-01
Droplet impact and rebound on superhydrophobic surface is an important process in many applications; among them are developing self-cleaning or anti-icing materials and limiting liquid film formation of Diesel Exhaust Fluid (DEF) in exhaust gas pipe. In the latter field, rebound of DEF droplet from wall is desired as an effective mean for avoiding or reducing unwanted solid deposition. Our goal is to numerically study influence of surface wettability on DEF droplet impact and rebound behavior. A phase-field method is chosen, which was implemented in OpenFOAM by us and validated for wetting-related interfacial flow problems. In the present contribution we first numerically reproduce relevant experimental studies in literature, to validate the code for droplet impact and rebound problem. There we study droplet-surface contact time, maximum/instantaneous spreading factor and droplet shape evolution. Our numerical results show good agreement with experimental data. Next we investigate for DEF droplets the effects of diameter, impact velocity and surface wettability on rebound behavior and jumping height. Based on Weber number and equilibrium contact angle, two regimes are identified. We show that surface wettability is a deciding factor for achieving rebound event. This work is supported by Foundation ``Friedrich-und-Elisabeth Boysen Stiftung fuer Forschung und Innovation'' (BOY-127-TP1).
Theoretical Study of the Compound Parabolic Trough Solar Collector
Directory of Open Access Journals (Sweden)
Dr. Subhi S. Mahammed
2012-06-01
Full Text Available Theoretical design of compound parabolic trough solar collector (CPC without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67% at mass flow rate between (0.02-0.03 kg/s at concentration ratio of (3.8 without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.
Theoretical study on device efficiency of pulsed liquid jet pump
International Nuclear Information System (INIS)
Gao Chuanchang; Lu Hongqi; Wang Shicheng; Cheng Mingchuan
2001-01-01
The influence of the main factors on device efficiency of pulsed liquid jet pump with gas-liquid piston is analysed, the theoretical equation and its time-averaged solution of pulsed liquid jet pump device efficiency are derived. The theoretical and experimental results show that the efficiency of transmission of energy and mass to use pulsed jet is greatly raised, compared with steady jet, in the same device of liquid jet pump. The calculating results of time-averaged efficiency of pulsed liquid jet pump are approximately in agreement with the experimental results in our and foreign countries
Experimental and theoretical studies of cylindrical Hall thrusters
International Nuclear Information System (INIS)
Smirnov, Artem; Raitses, Yegeny; Fisch, Nathaniel J.
2007-01-01
The Hall thruster is a mature electric propulsion device that holds considerable promise in terms of the propellant saving potential. The annular design of the conventional Hall thruster, however, does not naturally scale to low power. The efficiency tends to be lower and the lifetime issues are more aggravated. Cylindrical geometry Hall thrusters have lower surface-to-volume ratio than conventional thrusters and, thus, seem to be more promising for scaling down. The cylindrical Hall thruster (CHT) is fundamentally different from the conventional design in the way the electrons are confined and the ion space charge is neutralized. The performances of both the large (9-cm channel diameter, 600-1000 W) and miniaturized (2.6-cm channel diameter, 50-300 W) CHTs are comparable with those of the state-of-the-art conventional (annular) design Hall thrusters of similar sizes. A comprehensive experimental and theoretical study of the CHT physics has been conducted, addressing the questions of electron cross-field transport, propellant ionization, plasma-wall interaction, and formation of the electron distribution function. Probe measurements in the harsh plasma environment of the microthruster were performed. Several interesting effects, such as the unusually high ionization efficiency and enhanced electron transport, were observed. Kinetic simulations suggest the existence of the strong fluctuation-enhanced electron diffusion and predict the non-Maxwellian shape of the electron distribution function. Through the acquired understanding of the new physics, ways for further optimization of this means for low-power space propulsion are suggested. Substantial flexibility in the magnetic field configuration of the CHT is the key tool in achieving the high-efficiency operation
a Theoretical Study of Coherent Structures in Nonneutral Plasma Columns
Lund, Steven M.
A ubiquitous feature of experimental and computer simulation studies of magnetically confined pure electron plasmas in cylindrical confinement devices is the formation of nonaxisymmetric (partial/partial theta ne 0) rotating equilibria. In this dissertation, nonaxisymmetric rotating equilibria are investigated theoretically for strongly magnetized, low-density (omega_sp{pe} {2}/omega_sp{ce}{2 } guiding-center model in the cold-fluid limit (the continuity and Poisson equations) that treats the electrons as a massless fluid (m_{e} to 0) with E times B flow velocity V _{e} = -(c/B_0)nablaphi times {bf e}_{z}. Within this model, general rotating equilibria with electron density (n_{e} equiv n_{R}(r,theta-omega _{r}t) and electrostatic potential phi equiv phi_{R }(r,theta-omega_{r}t) have the property that the electron density is functionally related to the streamfunction psi _{R} = -ephi_{R} + omega_{r}(eB_0/2c)r^2 by n_{R} = n_{R }(psi_{R}). The streamfunction psi_{R} satisfies the nonlinear equilibrium equation nabla ^2psi_{R} = -4pi e^2n _{R}(psi_{R}) + 2omega_{r}eB_0/c with psi_{R} = omega _{r}(eB_0/2c)r_sp{w }{2} equiv psi_{w } = const. on the cylindrical wall at r = r_{w}. A general methodology for the solution of this equilibrium system is presented and several properties of rotating equilibria are analyzed. Following this analysis, two classes of nonaxisymmetric equilibria are investigated. These two classes of equilibria can have large amplitude (strongly nonaxisymmetric). First, a class of vortex-like rotating equilibria is analyzed that is characterized by a structured density profile that fills a confinement geometry with an inner conducting cylinder at radius r = r_{I} Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253 -1690.).
Theoretical and spectroscopic studies of a tricyclic antidepressant, imipramine hydrochloride
Sagdinc, S. G.; Azkeskin, Caner; Eşme, A.
2018-06-01
Imipramine hydrochloride ([H-IMI]Cl), C19H24N2.HCl, is the prototypic tricyclic antidepressant (TCA) inhibitor of norepinephrine and serotonin neuronal reuptake. The molecular structure, molecular electrostatic potential (MEP), natural bond orbital (NBO) analysis, linear and non-linear optical (NLO) properties of [H-IMI]Cl have been investigated using the density functional theory (DFT) calculations with the B3LYP level at the 6‒311++G(d,p) basis set. The UV-Vis spectra for [H-IMI]Cl were experimentally studied in water and methanol. TD‒DFT calculations in water and methanol were employed to investigate the absorption wavelengths (λ), excitation energies (E), and oscillator strengths (f) for the UV-Vis analysis and the major contributions to the electronic transitions. From NBO analysis, the orbitals with the stabilization energy E(2) of 192.15 kcal/mol are π*(C5sbnd C18) as donor NBO and π*(C19sbnd C20) as acceptor NBO. The FT‒IR (4000‒400 cm-1) and FT‒Raman (3500-50 cm-1) spectra have been measured and analyzed. The assignment of bands observed vibrational spectra have been made by comparison of its calculated theoretical vibrational frequencies obtained using the DFT/B3LYP/6‒311++G(d,p) method. The detailed vibrational assignments were performed with the DFT calculation, and the potential energy distribution (PED) of [H-IMI]Cl was obtained by the Vibrational Energy Distribution Analysis 4 (VEDA4) program. The scaled frequencies resulted in good agreement with the observed spectral patterns.
Numerical study on discharge process of microcavity plasma
International Nuclear Information System (INIS)
Xia Guangqing; Xue Weihua; Wang Dongxue; Zhu Guoqiang; Zhu Yu
2012-01-01
The evolution of plasma parameters during high pressure discharge in the microcavity with a hollow anode was numerically studied, with a two-dimensional self-consistent fluid model. The simulations were performed with argon at 13.3 kPa. The numerical results show that during the discharge the electric field around the cathode transforms from an axial field to a radial field, the plasma density gets the maximum value on the central line of the cavity and the location of the maximum density moves from the region near anode at the initial stage to the cathode vicinity at the stable stage, and the maximum electron temperature occurs in the ring sheath of cathode. (authors)
Numerical studies of film formation in context of steel coating
Aniszewski, Wojciech; Zaleski, Stephane; Popinet, Stephane
2017-11-01
In this work, we present a detailed example of numerical study of film formation in the context of metal coating. Liquid metal is drawn from a reservoir onto a retracting solid sheet, forming a coating film characterized by phenomena such as longitudinal thickness variation (in 3D) or waves akin to that predicted by Kapitza and Kapitza (visible in two dimensions as well). While the industry standard configuration for Zinc coating is marked by coexistence of medium Capillary number (Ca = 0.03) and film Reynolds number above 1000, we present also parametric studies in order to establish more clearly to what degree does the numerical method influence film regimes obtained in the target configuration. The simulations have been performed using Basilisk, a grid-adapting, strongly optimized code derived from Gerris . Mesh adaptation allows for arbitrary precision in relevant regions such as the contact line or the meniscus, while a coarse grid is applied elsewhere. This adaptation strategy, as the results indicate, is the only realistic approach for numerical method to cover the wide range of necessary scales from the predicted film thickness (hundreds of microns) to the domain size (meters).
Analytical and Numerical Studies of Sloshing in Tanks
Energy Technology Data Exchange (ETDEWEB)
Solaas, F
1996-12-31
For oil cargo ship tanks and liquid natural gas carriers, the dimensions of the tanks are often such that the highest resonant sloshing periods and the ship motions are in the same period range, which may cause violent resonant sloshing of the liquid. In this doctoral thesis, linear and non-linear analytical potential theory solutions of the sloshing problem are studied for a two-dimensional rectangular tank and a vertical circular cylindrical tank, using perturbation technique for the non-linear case. The tank is forced to oscillate harmonically with small amplitudes of sway with frequency in the vicinity of the lowest natural frequency of the fluid inside the tank. The method is extended to other tank shapes using a combined analytical and numerical method. A boundary element numerical method is used to determine the eigenfunctions and eigenvalues of the problem. These are used in the non-linear analytical free surface conditions, and the velocity potential and free surface elevation for each boundary value problem in the perturbation scheme are determined by the boundary element method. Both the analytical method and the combined analytical and numerical method are restricted to tanks with vertical walls in the free surface. The suitability of a commercial programme, FLOW-3D, to estimate sloshing is studied. It solves the Navier-Stokes equations by the finite difference method. The free surface as function of time is traced using the fractional volume of fluid method. 59 refs., 54 figs., 37 tabs.
Analytical and Numerical Studies of Sloshing in Tanks
Energy Technology Data Exchange (ETDEWEB)
Solaas, F.
1995-12-31
For oil cargo ship tanks and liquid natural gas carriers, the dimensions of the tanks are often such that the highest resonant sloshing periods and the ship motions are in the same period range, which may cause violent resonant sloshing of the liquid. In this doctoral thesis, linear and non-linear analytical potential theory solutions of the sloshing problem are studied for a two-dimensional rectangular tank and a vertical circular cylindrical tank, using perturbation technique for the non-linear case. The tank is forced to oscillate harmonically with small amplitudes of sway with frequency in the vicinity of the lowest natural frequency of the fluid inside the tank. The method is extended to other tank shapes using a combined analytical and numerical method. A boundary element numerical method is used to determine the eigenfunctions and eigenvalues of the problem. These are used in the non-linear analytical free surface conditions, and the velocity potential and free surface elevation for each boundary value problem in the perturbation scheme are determined by the boundary element method. Both the analytical method and the combined analytical and numerical method are restricted to tanks with vertical walls in the free surface. The suitability of a commercial programme, FLOW-3D, to estimate sloshing is studied. It solves the Navier-Stokes equations by the finite difference method. The free surface as function of time is traced using the fractional volume of fluid method. 59 refs., 54 figs., 37 tabs.
Numerical study of the characteristics of a dielectric barrier discharge plasma actuator
Shi, C. A.; Adamiak, K.; Castle, G. S. P.
2018-03-01
A dielectric barrier discharge actuator to control airflow along a flat dielectric plate has been numerically investigated in this paper. In order to avoid large computing times, streamers, Trichel pulses and the ionic reactions involving photons and electrons are neglected. The numerical model assumes two types of generic ions, one positive and one negative, whose drift in the electric field produces the electrohydrodynamic flow. This study provides detailed insights into the physical mechanisms of DBD that include the electric field, space charge transport, surface charge accumulation and air flow motion. The results show the V-I characteristics, velocity profiles and drag force estimates. In addition, the effects of the voltage level, frequency and inlet air velocity on the actuator performance are presented and interpreted. The simulation results show a good agreement with theoretical expectations and experimental data available in literature.
A numerical study of bubble interactions in Rayleigh--Taylor instability for compressible fluids
International Nuclear Information System (INIS)
Glimm, J.; Li, X.L.; Menikoff, R.; Sharp, D.H.; Zhang, Q.
1990-01-01
The late nonlinear and chaotic stage of Rayleigh--Taylor instability is characterized by the evolution of bubbles of the light fluid and spikes of the heavy fluid, each penetrating into the other phase. This paper is focused on the numerical study of bubble interactions and their effect on the statistical behavior and evolution of the bubble envelope. Compressible fluids described by the two-fluid Euler equations are considered and the front tracking method for numerical simulation of these equations is used. Two major phenomena are studied. One is the dynamics of the bubbles in a chaotic environment and the interaction among neighboring bubbles. Another one is the acceleration of the overall bubble envelope, which is a statistical consequence of the interactions of bubbles. The main result is a consistent analysis, at least in the approximately incompressible case of these two phenomena. The consistency encompasses the analysis of experiments, numerical simulation, simple theoretical models, and variation of parameters. Numerical simulation results that are in quantitative agreement with laboratory experiment for one-and-one-half (1 1/2) generations of bubble merger are presented. To the authors' knowledge, computations of this accuracy have not previously been obtained
A Theoretical Framework for Studying Adolescent Contraceptive Use.
Urberg, Kathryn A.
1982-01-01
Presents a theoretical framework for viewing adolescent contraceptive usage. The problem-solving process is used for developmentally examining the competencies that must be present for effective contraceptive use, including: problem recognition, motivation, generation of alternatives, decision making and implementation. Each aspect is discussed…
Experimental and theoretical study of magnetohydrodynamic ship models.
Directory of Open Access Journals (Sweden)
David Cébron
Full Text Available Magnetohydrodynamic (MHD ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.
Experimental and theoretical study of magnetohydrodynamic ship models.
Cébron, David; Viroulet, Sylvain; Vidal, Jérémie; Masson, Jean-Paul; Viroulet, Philippe
2017-01-01
Magnetohydrodynamic (MHD) ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.
Coordination to transition metal surfaces : a theoretical study
Santen, van R.A.
1985-01-01
A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due
Theoretical study of diaquamalonatozinc(II) single crystal for ...
Indian Academy of Sciences (India)
MITESH CHAKRABORTY
2017-11-28
Nov 28, 2017 ... 2Laser and Spectroscopy Laboratory, Department of Applied Physics, Indian Institute of ... The aim of the present paper is to employ theoretical methods to investigate the zero field splitting .... using quantum chemistry computational models has ..... The authors are grateful to the Science and Engineer-.
Experimental and numerical study of a printed circuit heat exchanger
International Nuclear Information System (INIS)
Chen, Minghui; Sun, Xiaodong; Christensen, Richard N.; Shi, Shanbin; Skavdahl, Isaac; Utgikar, Vivek; Sabharwall, Piyush
2016-01-01
Highlights: • A dynamic model is developed for transient analysis of the straight-channel PCHE. • Transient scenarios of the straight-channel PCHE subject to helium temperature and mass flow rate variations are numerically investigated. • Steady-state temperature distribution inside the straight-channel PCHE is obtained in calculation. • Experiments are conducted to study the dynamic behavior of the straight-channel PCHE. - Abstract: Printed circuit heat exchangers (PCHEs) are promising to be employed in very-high-temperature gas-cooled reactors (VHTRs) due to their high robustness for high-temperature, high-pressure applications and high compactness. PCHEs typically serve as intermediate heat exchangers (IHXs) that isolate the secondary loop from the reactor’s primary system and hence must be sufficiently robust to maintain the system integrity during normal and off-normal conditions. In addition, the performance of the PCHE-type IHX could considerably affect the nuclear power plant overall operation since any transients on the secondary side would be propagated back to the reactor’s primary coolant system via the IHX. It is therefore imperative to understand how the PCHE would dynamically respond to a variety of transients. In the current study, experiments were first conducted to examine the steady-state thermal performance of a reduced-scale straight-channel PCHE. A dynamic model benchmarked in a previous study was then used to predict the steady-state and transient behavior of the PCHE. The steady-state temperature profiles of the working fluids on both the hot and cold sides and in the solid plates of the heat exchanger were obtained, which served as the initial condition for the transient simulations. The detailed dynamic response of the straight-channel PCHE, subject to inlet temperature variations, helium mass flow variations, and combinations of the two, was simulated and analyzed. In addition, two sets of transient tests, one for helium inlet
International Nuclear Information System (INIS)
Shapter, J.G.; Rogers, B.L.; Ford, M.J.
2003-01-01
Full text: Since its development in 1982, the Scanning Tunneling Microscope (STM) has developed into a powerful tool for the study of surfaces and adsorbates. However, the utility of the technique can be further enhanced through the development of techniques for generating theoretical STM images. This is particularly true when studying molecules adsorbed on a substrate, as the results are often interpreted superficially due to an inadequate understanding of the orbital overlap probed in the experiment. A method of preparing theoretical scanning tunneling microscope (STM) images using comparatively inexpensive desktop computers and the commercially available CRYSTAL98 package is presented through a study of benzene adsorbed on the Cu(110) surface. Density Functional Theory (DFT) and Hartree-Fock (HF) methods are used to model clean Cu(110) slabs of various thicknesses and to simulate the adsorption of benzene onto these slabs. Eight possible orientations of benzene on the Cu(110) surface are proposed, and the optimum orientation according to the calculations is presented. Theoretical STM images of the Cu(110) surface and benzene adsorbed on the Cu(110) surface are compared with experimental STM images of the system from a published study. Significant differences are observed and are examined in detail
International Nuclear Information System (INIS)
Urosevic, V.; Nikezic, D.; Zekic, R.
2005-01-01
Radon concentration in air may change significantly large variation due to atmospheric variation. Measurement with active charcoal can be inaccurate because the variation in radon concentration. We made model to simulate radon measurements with active charcoal in order to optimize and improve integration characteristic. A numerical method and computer code based on the method of finite elements is developed for the case of variable radon concentration in air. This program simulates radon adsorption by the activated charcoal bed, enabling determination of sensitivity. The dependence of sensitivity on different parameters, such as temperature, thickness of the charcoal, etc. was studied using this program. Using results of theoretical investigation we designed and calibrated our canister with active charcoal for radon measurements. (author)
A theoretical study of mixing downstream of transverse injection into a supersonic boundary layer
Baker, A. J.; Zelazny, S. W.
1972-01-01
A theoretical and analytical study was made of mixing downstream of transverse hydrogen injection, from single and multiple orifices, into a Mach 4 air boundary layer over a flat plate. Numerical solutions to the governing three-dimensional, elliptic boundary layer equations were obtained using a general purpose computer program. Founded upon a finite element solution algorithm. A prototype three-dimensional turbulent transport model was developed using mixing length theory in the wall region and the mass defect concept in the outer region. Excellent agreement between the computed flow field and experimental data for a jet/freestream dynamic pressure ratio of unity was obtained in the centerplane region of the single-jet configuration. Poorer agreement off centerplane suggests an inadequacy of the extrapolated two-dimensional turbulence model. Considerable improvement in off-centerplane computational agreement occured for a multi-jet configuration, using the same turbulent transport model.
Theoretical Study of Amplitude Modulation Application during Radio Frequency Electrocoagulation
Directory of Open Access Journals (Sweden)
V. A. Karpuhin
2015-01-01
Full Text Available This article concerns the investigation results of influence of the amplitude-modulated acting signal parameters on the thermoelectric characteristics of biological tissues for a specified geometry of the working electrode section during RF mono-polar electrocoagulation. The geometric model ‘electrode - a biological tissue’ was suggested to study the distribution of power and temperature fields in biological tissue during mono-polar coagulation. The model of biological tissue is represented as a cylinder and the needle electrode is an ellipsoid immersed in the biological tissue. The heat and quasi-electrostatics equations are used as a mathematical model. These equations are solved in Comsol Multiphysics environment.As a result, we have got the following findings: the technique of calculating parameters of the PAM acting signal which has a fixed carrier frequency for the needle electrode of a specified geometry and the immersion depth in biological tissues is suggested. Parameters of PAM signal are determined for this electrode geometry. These parameters provide a 60 ... 80°C heating range of biological tissues near the working part of the tool for different amplitudes of acting signal during RF coagulation. It has been found out that both the temperature and the relaxation frequency of biological tissue depend on exposure time for the needle electrode of a specified geometry and immersion depth of the working part of tool into biological tissue.It is shown that the relaxation frequency of the biological tissue, subjected to the radiofrequency pulses, linearly depends on its heating temperature and can be used as a numerical criterion for maintaining the specified temperature conditions. It is found that the relaxation frequency of the biological tissue depends on the contact area of the tool working part and biological tissues. To reduce this dependence it is necessary to provide automatic current control of the output action.
Numerical studies of edge localized instabilities in tokamaks
International Nuclear Information System (INIS)
Wilson, H.R.; Snyder, P.B.; Huysmans, G.T.A.; Miller, R.L.
2002-01-01
A new computational tool, edge localized instabilities in tokamaks equilibria (ELITE), has been developed to help our understanding of short wavelength instabilities close to the edge of tokamak plasmas. Such instabilities may be responsible for the edge localized modes observed in high confinement H-mode regimes, which are a serious concern for next step tokamaks because of the high transient power loads which they can impose on divertor target plates. ELITE uses physical insight gained from analytic studies of peeling and ballooning modes to provide an efficient way of calculating the edge ideal magnetohydrodynamic stability properties of tokamaks. This paper describes the theoretical formalism which forms the basis for the code
On the Numerical and Experimental Study of Spray Cooling
Directory of Open Access Journals (Sweden)
M.R. Guechi
2013-12-01
Full Text Available The spraying of an impinging jet is an effective way to cool heated surfaces. The objective of this study is to develop a numerical model to predict the heat transfer with phase change between a hot plate surface and a two-phase impinging jet. Different two-phase modeling approaches (Lagrangian and Eulerian methods are compared. The influence of the spray nozzle operating conditions and of the distance between the nozzle exit and the surface impact is analyzed. The numerical results are compared with measurements obtained on an experimental test bench. The confrontation numerical/experimental is carried out by comparing the distribution of temperature at the surface of the plate and the heat transfer coefficient. This comparison shows that it is the Eulerian model which seems most capable to take into account the evaporation of the droplets in contact with the heated plate. However, the simulation performed with this model show a strong dependence of the results to the turbulence model used.
Numerical Study of Aeroacoustic Sound on Performance of Bladeless Fan
Jafari, Mohammad; Sojoudi, Atta; Hafezisefat, Parinaz
2017-03-01
Aeroacoustic performance of fans is essential due to their widespread application. Therefore, the original aim of this paper is to evaluate the generated noise owing to different geometric parameters. In current study, effect of five geometric parameters was investigated on well performance of a Bladeless fan. Airflow through this fan was analyzed simulating a Bladeless fan within a 2 m×2 m×4 m room. Analysis of the flow field inside the fan and evaluating its performance were obtained by solving conservations of mass and momentum equations for aerodynamic investigations and FW-H noise equations for aeroacoustic analysis. In order to design Bladeless fan Eppler 473 airfoil profile was used as the cross section of this fan. Five distinct parameters, namely height of cross section of the fan, outlet angle of the flow relative to the fan axis, thickness of airflow outlet slit, hydraulic diameter and aspect ratio for circular and quadratic cross sections were considered. Validating acoustic code results, we compared numerical solution of FW-H noise equations for NACA0012 with experimental results. FW-H model was selected to predict the noise generated by the Bladeless fan as the numerical results indicated a good agreement with experimental ones for NACA0012. To validate 3-D numerical results, the experimental results of a round jet showed good agreement with those simulation data. In order to indicate the effect of each mentioned parameter on the fan performance, SPL and OASPL diagrams were illustrated.
New numerical method to study phase transitions and its applications
International Nuclear Information System (INIS)
Lee, Jooyoung; Kosterlitz, J.M.
1991-11-01
We present a powerful method of identifying the nature of transitions by numerical simulation of finite systems. By studying the finite size scaling properties of free energy barrier between competing states, we can identify unambiguously a weak first order transition even when accessible system sizes are L/ξ < 0.05 as in the five state Potts model in two dimensions. When studying a continuous phase transition we obtain quite accurate estimates of critical exponents by treating it as a field driven first order transition. The method has been successfully applied to various systems
Numerical studies of transverse curvature effects on transonic flow stability
Macaraeg, M. G.; Daudpota, Q. I.
1992-01-01
A numerical study of transverse curvature effects on compressible flow temporal stability for transonic to low supersonic Mach numbers is presented for axisymmetric modes. The mean flows studied include a similar boundary-layer profile and a nonsimilar axisymmetric boundary-layer solution. The effect of neglecting curvature in the mean flow produces only small quantitative changes in the disturbance growth rate. For transonic Mach numbers (1-1.4) and aerodynamically relevant Reynolds numbers (5000-10,000 based on displacement thickness), the maximum growth rate is found to increase with curvature - the maximum occurring at a nondimensional radius (based on displacement thickness) between 30 and 100.
Numerical analysis of data in dynamic function studies
International Nuclear Information System (INIS)
Riihimaeki, E.
1975-01-01
Relations between tracer theories, models for organ function and the numerical solution of parameters from tracer experiments are reviewed. A unified presentation is given in terms of systems theory. Dynamic tracer studies should give the flow and volume of the tracer and, possibly, indications of the internal structure of the organ studied. Proper program writing will facilitate the exchange of the programs between the users and thereby avoid duplication of effort. An important attribute in this respect is machine independence of the programs which is achieved by the use of a high-level language. (author)
Numerical study of particle filtration in an induction crucible furnace
International Nuclear Information System (INIS)
Asad, Amjad; Kratzsch, Christoph; Dudczig, Steffen; Aneziris, Christos G.; Schwarze, Rüdiger
2016-01-01
Highlights: • Removing particles from a melt in an induction furnace by using a filter is introduced. • The effect of filter and its permeability on the melt flow is shown. • The impact of filter permeability and particle diameter on filter efficiency is studied. • The filter efficiency depends on filter position and number of the used filter. - Abstract: The present paper deals with a numerical investigation of the turbulent melt flow driven by the electromagnetic force in an induction furnace. The main scope of the paper is to present a new principle to remove non-metallic particles from steel melt in an induction furnace by immersing a porous filter in the melt. The magnetic field acting on the melt is calculated by using the open source software MaxFEM"®, while the turbulent flow is simulated by means of the open source computational fluid dynamics library OpenFOAM"®. The validation of the numerical model is accomplished by using experimental results for the flow without the immersed filter. Here it is shown that the time-averaged flow, obtained numerically is in a good quantitive agreement with the experimental data. Then, the validated numerical model is employed to simulate the melt flow with the immersed filter in the induction furnace of a new type of real steel casting simulator investigated at Technische Universität Bergakademie Freiberg. The considerable effect of the filter on the flow pattern is indicated in the present work. Moreover, it is shown that the filter permeability and its position have a significant influence on the melt flow in the induction furnace. Additionally, particles are injected in the flow domain and tracked by using Lagrangian framework. In this case, the efficiency of the used filter is determined in the present investigation depending on its permeability, its position and the particles diameter.
Spectroscopic Analysis of Neurotransmitters: A Theoretical and Experimental Raman Study
Alonzo, Matthew
Surface-enhanced Raman spectroscopy (SERS) was applied to investigate the feasibility in the detection and monitoring of the dopamine (DA) neurotransmitter adsorbed onto silver nanoparticles (Ag NPs) at 10-11 molar, a concentration far below physiological levels. In addition, density functional theory (DFT) calculations were obtained with the Gaussian-09 analytical suite software to generate the theoretical molecular configuration of DA in its neutral, cationic, anionic, and dopaminequinone states for the conversion of computer-simulated Raman spectra. Comparison of theoretical and experimental results show good agreement and imply the presence of dopamine in all of its molecular forms in the experimental setting. The dominant dopamine Raman bands at 750 cm-1 and 795 cm-1 suggest the adsorption of dopaminequinone onto the silver nanoparticle surface. The results of this experiment give good insight into the applicability of using Raman spectroscopy for the biodetection of neurotransmitters.
Theoretical study of reaction dynamics in radiation chemistry
International Nuclear Information System (INIS)
Tachiya, Masanori
2008-01-01
The period from late 1950's to early 1970's was golden age of radiation chemistry. During this period the hydrated electron was discovered, various new phenomena were found in ionic processes in liquid hydrocarbons, and the trapped electron and electron tunneling were discovered in organic glasses. In those days radiation chemistry was a vast treasure-house of theoretical problems. We could find not only problems special to radiation chemistry but also many problems interesting as general physical chemistry. In this review I explain how some theoretical problems discovered in the field of radiation chemistry have evolved into those of general physical chemistry, with special emphasis on my own work. (author)
An Experimental and Theoretical Study on Cavitating Propellers.
1982-10-01
34 And Identfyp eV &to" nMeeJ cascade flow theoretical supercavitating flow performance prediction method partially cavitating flow supercavitating ...the present work was to develop an analytical tool for predicting the off-design performance of supercavitating propellers over a wide range of...operating conditions. Due to the complex nature of the flow phenomena, a lifting line theory sirply combined with the two-dimensional supercavitating
Theoretical studies on sRNA-mediated regulation in bacteria
Chang, Xiao-Xue; Xu, Liu-Fang; Shi, Hua-Lin
2015-12-01
Small RNA(sRNA)-mediated post-transcriptional regulation differs from protein-mediated regulation. Through base-pairing, sRNA can regulate the target mRNA in a catalytic or stoichiometric manner. Some theoretical models were built for comparison of the protein-mediated and sRNA-mediated modes in the steady-state behaviors and noise properties. Many experiments demonstrated that a single sRNA can regulate several mRNAs, which causes crosstalk between the targets. Here, we focus on some models in which two target mRNAs are silenced by the same sRNA to discuss their crosstalk features. Additionally, the sequence-function relationship of sRNA and its role in the kinetic process of base-pairing have been highlighted in model building. Project supported by the National Basic Research Program of China (Grant No. 2013CB834100), the National Natural Science Foundation of China (Grant Nos. 11121403 and 11274320), the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China (Grant No. Y4KF171CJ1), the National Natural Science Foundation for Young Scholar of China (Grant No. 11304115), and the China Postdoctoral Science Foundation (Grant No. 2013M541282).
Sogukpinar, Haci; Bozkurt, Ismail
2018-02-01
Aerodynamic performance of the airfoil plays the most important role to obtain economically maximum efficiency from a wind turbine. Therefore airfoil should have an ideal aerodynamic shape. In this study, aerodynamic simulation of S809 airfoil is conducted and obtained result compared with previously made NASA experimental result and NREL theoretical data. At first, Lift coefficient, lift to drag ratio and pressure coefficient around S809 airfoil are calculated with SST turbulence model, and are compared with experimental and other theoretical data to correlate simulation correctness of the computational approaches. And result indicates good correlation with both experimental and theoretical data. This calculation point out that as the increasing relative velocity, lift to drag ratio increases. Lift to drag ratio attain maximum at the angle around 6 degree and after that starts to decrease again. Comparison shows that CFD code used in this calculation can predict aerodynamic properties of airfoil.
Kajikawa, K.; Funaki, K.; Shikimachi, K.; Hirano, N.; Nagaya, S.
2010-11-01
AC losses in a superconductor strip are numerically evaluated by means of a finite element method formulated with a current vector potential. The expressions of AC losses in an infinite slab that corresponds to a simple model of infinitely stacked strips are also derived theoretically. It is assumed that the voltage-current characteristics of the superconductors are represented by Bean's critical state model. The typical operation pattern of a Superconducting Magnetic Energy Storage (SMES) coil with direct and alternating transport currents in an external AC magnetic field is taken into account as the electromagnetic environment for both the single strip and the infinite slab. By using the obtained results of AC losses, the influences of the transport currents on the total losses are discussed quantitatively.
Numerical and experimental studies of droplet-gas flow
Energy Technology Data Exchange (ETDEWEB)
Joesang, Aage Ingebret
2002-07-01
This thesis considers droplet-gas flow by the use of numerical methods and experimental verification. A commercial vane separator was studied both numerical and by experiment. In addition some efforts are put into the numerical analysis of cyclones. The experimental part contains detailed measurements of the flow field between a pair of vanes in a vane separator and droplet size measurements. LDA (Laser Doppler Anemometry) was used to measure the velocity in two dimensions and corresponding turbulence quantities. The results from the LDA measurements are considered to be of high quality and are compared to numerical results obtained from a CFD (Computational Fluid Dynamics) analysis. The simulation showed good agreement between the numerical and experimental results. Combinations of different turbulence models; the standard k-epsilon model and the Reynold Stress Mode, different schemes; first order and higher order scheme and different near wall treatment of the turbulence; the Law of the wall and the Two-Layer Zonal model were used in the simulations. The Reynold Stress Model together with a higher order scheme performed rather poorly. The recirculation in parts of the separator was overpredicted in this case. For the other cases the overall predictions are satisfactory. PDA (Phase Doppler Anemometry) measurements were used to study the changes in the droplet size distribution through the vane separator. The PDA measurements show that smaller droplets are found at the outlet than present at the inlet. In the literature there exists different mechanisms for explaining the re-entrainment and generation of new droplets. The re-entrainments mechanisms are divided into four groups where droplet-droplet interaction, droplet break-up, splashing of impinging droplet and re-entrainment from the film are defined as the groups of re-entrainment mechanisms. Models for these groups are found in the literature and these models are tested for re-entrainment using the operational
STUDY AND NUMERICAL SIMULATION OF SOLAR SYSTEM FOR AIR HEATING
Directory of Open Access Journals (Sweden)
M. Ghodbane
2016-01-01
Full Text Available The use of solar energy in sunny countries, is an effective outil for compensate the lack in the energy, their benefits are not related only to its economic benefits but especially for the environmental protection, so we must find solutions to the problems of pollution. This work is a theoretical study of a solar flat plate collector ; air is used as the heat transfer fluid. In this study, we established in first step the calculation of solar radiation in various sites in Algeria (Adrar, El Oued, Bechar, Biskra and Tamanrasset. The second step is the parameters influence study of the sites and climate on the performance of our collector. The results obtained are encouraging for the use of this type in the heating in the winter, also it can be used in different kinds of drying.
Numerical study of two-dimensional moist symmetric instability
Directory of Open Access Journals (Sweden)
M. Fantini
2008-06-01
Full Text Available The 2-D version of the non-hydrostatic fully compressible model MOLOCH developed at ISAC-CNR was used in idealized set-up to study the start-up and finite amplitude evolution of symmetric instability. The unstable basic state was designed by numerical integration of the equation which defines saturated equivalent potential vorticity q_{e}^{*}. We present the structure and growth rates of the linear modes both for a supersaturated initial state ("super"-linear mode and for a saturated one ("pseudo"-linear mode and the modifications induced on the base state by their finite amplitude evolution.
Numerical study of Q-ball formation in gravity mediation
International Nuclear Information System (INIS)
Hiramatsu, Takashi; Kawasaki, Masahiro; Takahashi, Fuminobu
2010-01-01
We study Q-ball formation in the expanding universe on 1D, 2D and 3D lattice simulations. We obtain detailed Q-ball charge distributions, and find that the distribution is peaked at Q 3D peak ≅ 1.9 × 10 −2 (|Φ in |/m) 2 , which is greater than the existing result by about 60%. Based on the numerical simulations, we discuss how the Q-ball formation proceeds. Also we make a comment on possible deviation of the charge distributions from what was conjectured in the past
Theoretical Study of Spin Crossover in 30 Iron Complexes.
Kepp, Kasper P
2016-03-21
Iron complexes are important spin crossover (SCO) systems with vital roles in oxidative metabolism and promising technological potential. The SCO tendency depends on the free energy balance of high- and low-spin states, which again depends on physical effects such as dispersion, relativistic effects, and vibrational entropy. This work studied 30 different iron SCO systems with experimentally known thermochemical data, using 12 different density functionals. Remarkably general entropy-enthalpy compensation across SCO systems was identified (R = 0.82, p = 0.002) that should be considered in rational SCO design. Iron(II) complexes displayed higher ΔH and ΔS values than iron(III) complexes and also less steep compensation effects. First-coordination sphere ΔS values computed from numerical frequencies reproduce most of the experimental entropy and should thus be included when modeling spin-state changes in inorganic chemistry (R = 0.52, p = 3.4 × 10(-3); standard error in TΔS ≈ 4.4 kJ/mol at 298 K vs 16 kJ/mol of total TΔS on average). Zero-point energies favored high-spin states by 9 kJ/mol on average. Interestingly, dispersion effects are surprisingly large for the SCO process (average: 9 kJ/mol, but up to 33 kJ/mol) and favor the more compact low-spin state. Relativistic effects favor low-spin by ∼9 kJ/mol on average, but up to 24 kJ/mol. B3LYP*, TPSSh, B2PLYP, and PW6B95 performed best for the typical calculation scheme that includes ZPE. However, if relativistic and dispersion effects are included, only B3LYP* remained accurate. On average, high-spin was favored by LYP by 11-15 kJ/mol relative to other correlation functionals, and by 4.2 kJ/mol per 1% HF exchange in hybrids. 13% HF exchange was optimal without dispersion, and 15% was optimal with all effects included for these systems.
Theoretical and experimental studies on in-plane stiffness of integrated container structure
Directory of Open Access Journals (Sweden)
Xiaoxiong Zha
2016-03-01
Full Text Available This article presents analytical, numerical, and experimental studies on the in-plane stiffness of container buildings. First, based on diaphragm theory, parallel corrugated direction stiffness of corrugated sheet has been deduced, and based on energy method, shear modulus of two elastic principal directions of orthotropic plate has been deduced, and through stiffness conversion method, the stiffness relationship between parallel corrugated direction and vertical corrugated direction has been obtained. Combined with container frame, the container stiffness of loading end and non-loading end, as bottom side beam fixed, has been obtained. Second, through the software Abaqus, full-scale container model has been established. The loading–displacement curve of finite element model has been compared with theoretical analysis and has a good agreement. Third, through 20 and 40 ft container, corresponding experimental verification has been done, and by comparison of container stiffness, the theoretical analysis and finite element simulation have been verified. Finally, based on verified finite element model, parametric analysis of corrugated sheet size, corrugated sheeting cross section, elasticity modulus of top side beam, and every plate action for container stiffness have been given. Research result has made feasible in design and construction of container buildings and can provide some references to corresponding specification preparation.
Theoretical and experimental study of Chen chaotic system with notch filter feedback control
International Nuclear Information System (INIS)
Ming, Zhang Xiao; Jian-Hua, Peng; Ju-Fang, Chen
2010-01-01
Since the past two decades, the time delay feedback control method has attracted more and more attention in chaos control studies because of its simplicity and efficiency compared with other chaos control schemes. Recently, it has been proposed to suppress low-dimensional chaos with the notch filter feedback control method, which can be implemented in a laser system. In this work, we have analytically determined the controllable conditions for notch filter feedback controlling of Chen chaotic system in terms of the Hopf bifurcation theory. The conditions for notch filter feedback controlled Chen chaoitc system having a stable limit cycle solution are given. Meanwhile, we also analysed the Hopf bifurcation direction, which is very important for parameter settings in notch filter feedback control applications. Finally, we apply the notch filter feedback control methods to the electronic circuit experiments and numerical simulations based on the theoretical analysis. The controlling results of notch filter feedback control method well prove the feasibility and reliability of the theoretical analysis. (general)
Study and simulation of a parallel numerical processing machine
International Nuclear Information System (INIS)
Bel Hadj, Slaheddine
1981-12-01
This study has been carried out in the perspective of the implementation on a minicomputer of the NEPTUNIX package (software for the resolution of very large algebra-differential equation systems). Aiming at increasing the system performance, a previous research work has shown the necessity of reducing the execution time of certain numerical computation tasks, which are of frequent use. It has also demonstrated the feasibility of handling these tasks with efficient algorithms of parallel type. The present work deals with the study and simulation of a parallel architecture processor adapted to the fast execution of these algorithms. A minicomputer fitted with a connection to such a parallel processor, has a greatly extended computing power. Then the architecture of a parallel numerical processor, based on the use of VLSI microprocessors and co-processors, is described. Its design aims at the best cost / performance ratio. The last part deals with the simulation processor with the 'CHAMBOR' program. Results show an increasing factor of 30 in speed, in comparison with the execution on a MITRA 15 minicomputer. Moreover the conflicts importance, mainly at the level of access to a shared resource is evaluated. Although this implementation has been designed having in mind a dedicated application, other uses could be envisaged, particularly for the simulation of nuclear reactors: operator guiding system, the behavioural study under accidental circumstances, etc. (author) [fr
Numerical study of damage in unsaturated Geological and Engineered barriers
International Nuclear Information System (INIS)
Arson, C.; Gatmiri, B.
2011-01-01
The theoretical framework of a damage model dedicated to non-isothermal unsaturated porous media is presented. The damage variable is a second-order tensor, and the model is formulated in independent state variables. The behavior laws are derived from a postulated expression of Helmholtz free energy. The damaged rigidities are computed by applying the Principle of Equivalent Elastic Energy (PEEE). Internal length parameters are introduced in the expressions of liquid water and vapor conductivities, to account for cracking effects on fluid flows. The damage model has been implemented in Θ-Stock Finite Element program. The mechanical aspect of the damage model is validated by simulating a triaxial compression test on a dry isothermal brittle material. Then, a sophisticated model of nuclear waste disposal, involving two non-isothermal unsaturated porous media, is reproduced. The results obtained in elasticity are in good agreement with the results presented in the corresponding reference article. A parametric study on initial damage is then performed to assess the influence of the Excavated Damaged Zone (EDZ) on the response of the nuclear waste repository during the heating phase. The trends meet the theoretical expectations. (authors)
Directory of Open Access Journals (Sweden)
Kálal Zbyněk
2014-09-01
Full Text Available The main topic of this study is the mathematical modelling of bubble size distributions in an aerated stirred tank using the population balance method. The air-water system consisted of a fully baffled vessel with a diameter of 0.29 m, which was equipped with a six-bladed Rushton turbine. The secondary phase was introduced through a ring sparger situated under the impeller. Calculations were performed with the CFD software CFX 14.5. The turbulent quantities were predicted using the standard k-ε turbulence model. Coalescence and breakup of bubbles were modelled using the MUSIG method with 24 bubble size groups. For the bubble size distribution modelling, the breakup model by Luo and Svendsen (1996 typically has been used in the past. However, this breakup model was thoroughly reviewed and its practical applicability was questioned. Therefore, three different breakup models by Martínez-Bazán et al. (1999a, b, Lehr et al. (2002 and Alopaeus et al. (2002 were implemented in the CFD solver and applied to the system. The resulting Sauter mean diameters and local bubble size distributions were compared with experimental data.
Theoretical study of a melting curve for tin
International Nuclear Information System (INIS)
Feng, Xi; Ling-Cang, Cai
2009-01-01
The melting curve of Sn has been calculated using the dislocation-mediated melting model with the 'zone-linking method'. The results are in good agreement with the experimental data. According to our calculation, the melting temperature of γ-Sn at zero pressure is about 436 K obtained by the extrapolation of the method from the triple point of Sn. The results show that this calculation method is better than other theoretical methods for predicting the melting curve of polymorphic material Sn. (condensed matter: structure, thermal and mechanical properties)
Theoretical study of ferroelectric nanoparticles using phase reconstructed electron microscopy
Phatak, C.; Petford-Long, A. K.; Beleggia, M.; De Graef, M.
2014-06-01
Ferroelectric nanostructures are important for a variety of applications in electronic and electro-optical devices, including nonvolatile memories and thin-film capacitors. These applications involve stability and switching of polarization using external stimuli, such as electric fields. We present a theoretical model describing how the shape of a nanoparticle affects its polarization in the absence of screening charges, and quantify the electron-optical phase shift for detecting ferroelectric signals with phase-sensitive techniques in a transmission electron microscope. We provide an example phase shift computation for a uniformly polarized prolate ellipsoid with varying aspect ratio in the absence of screening charges.
Theoretical and experimental study on broadband terahertz atmospheric transmission characteristics
International Nuclear Information System (INIS)
Guo Shi-Bei; Zhong Kai; Wang Mao-Rong; Liu Chu; Xu De-Gang; Yao Jian-Quan; Xiao Yong; Wang Wen-Peng
2017-01-01
Broadband terahertz (THz) atmospheric transmission characteristics from 0 to 8 THz are theoretically simulated based on a standard Van Vleck–Weisskopf line shape, considering 1696 water absorption lines and 298 oxygen absorption lines. The influences of humidity, temperature, and pressure on the THz atmospheric absorption are analyzed and experimentally verified with a Fourier transform infrared spectrometer (FTIR) system, showing good consistency. The investigation and evaluation on high-frequency atmospheric windows are good supplements to existing data in the low-frequency range and lay the foundation for aircraft-based high-altitude applications of THz communication and radar. (paper)
Theoretical study of Cherenkov radiation emission in anisotropic uniaxial crystals
Energy Technology Data Exchange (ETDEWEB)
Delbart, A; Derre, J
1996-04-01
A theoretical review of the Cherenkov radiation emission in uniaxial crystals is presented. The formalism of C. Muzicar in terms of energetic properties of the emitted waves are corrected. This formalism is used to simulate the Cherenkov radiation emission in a strongly birefringent sodium nitrate crystal (NaNO{sub 3}) and to investigate the consequences of the slight anisotropy of sapphire (Al{sub 2}O{sub 3}) on the design of the Optical Trigger. (author). 12 refs. Submitted to Physical Review, D (US).
Theoretical study of steam condensation induced water hammer phenomena in horizontal pipelines
International Nuclear Information System (INIS)
Barna, Imre Ferenc; Pocsai, Mihaly Andras; Pecs Univ.; Guba, Attila; Imre, Attila Rikard; Budapest University of Technology and Economics
2015-01-01
Steam condensation induced water hammer (CIWH) phenomena are investigated and new theoretical results are presented. We use the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface averaged mass, momentum and energy balances. A second order accurate high-resolution shock-capturing numerical scheme was applied with different kind of limiters in the numerical calculations. The applied two-fluid model shows some similarities to RELAP5 which is widely used in the nuclear industry to simulate nuclear power plant accidents. This model was validated with different CIWH experiments which were performed in the PMK-2 facility, which is a full-pressure thermohydraulic model of the nuclear power plant of VVER-440/312 type in the Energy Research Center of the Hungarian Academy of Sciences and in the Rosa facility of the Japan Atomic Energy Agency. In our present study we show the first part of a planned large database which will give us the upper and lower flooding mass flow rates for various pipe geometries where CIWH can happen. Such a reliable database would be a great help for future reactor constructions and scheming.
Theoretical study of steam condensation induced water hammer phenomena in horizontal pipelines
Energy Technology Data Exchange (ETDEWEB)
Barna, Imre Ferenc [Hungarian Academy of Sciences, Budapest (Hungary). Wigner Research Center; ELI-HU Nonprofit Kft., Szeged (Hungary); Pocsai, Mihaly Andras [Hungarian Academy of Sciences, Budapest (Hungary). Wigner Research Center; Pecs Univ. (Hungary). Inst. of Physics; Guba, Attila [Hungarian Academy of Sciences, Budapest (Hungary). Energy Research Center; Imre, Attila Rikard [Hungarian Academy of Sciences, Budapest (Hungary). Energy Research Center; Budapest University of Technology and Economics (Hungary). Dept. of Energy Engineering
2015-11-15
Steam condensation induced water hammer (CIWH) phenomena are investigated and new theoretical results are presented. We use the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface averaged mass, momentum and energy balances. A second order accurate high-resolution shock-capturing numerical scheme was applied with different kind of limiters in the numerical calculations. The applied two-fluid model shows some similarities to RELAP5 which is widely used in the nuclear industry to simulate nuclear power plant accidents. This model was validated with different CIWH experiments which were performed in the PMK-2 facility, which is a full-pressure thermohydraulic model of the nuclear power plant of VVER-440/312 type in the Energy Research Center of the Hungarian Academy of Sciences and in the Rosa facility of the Japan Atomic Energy Agency. In our present study we show the first part of a planned large database which will give us the upper and lower flooding mass flow rates for various pipe geometries where CIWH can happen. Such a reliable database would be a great help for future reactor constructions and scheming.
An Experimental and numerical Study for squeezing flow
Nathan, Rungun; Lang, Ji; Wu, Qianhong; Vucbmss Team
2017-11-01
We report an experimental and numerical study to examine the transient squeezing flow driven by sudden external impacts. The phenomenon is widely observed in industrial applications, e.g. squeeze dampers, or in biological systems, i.e. joints lubrication. However, there is a lack of investigation that captures the transient flow feature during the process. An experimental setup was developed that contains a piston instrumented with a laser displacement sensor and a pressure transducer. The heavy piston was released from rest, creating a fast compaction on the thin fluid gap underneath. The motion of the piston and the fluid pressure build-up was recorded. For this dynamic process, a CFD simulation was performed which shows excellent agreement with the experimental data. Both the numerical and experimental results show that, the squeezing flow starts with the inviscid limit when the viscous fluid effect has no time to appear, and thereafter becomes a developing flow, in which the inviscid core flow region decreases and the viscous wall region increases until the entire fluid gap is filled with viscous fluid flow. The study presented herein, filling the gap in the literature, will have broad impacts in industrial and biomedical applications. This research was supported by the National Science Foundation under Award 1511096, and supported by the Seed Grant from The Villanova Center for the Advancement of Sustainability in Engineering (VCASE).
Experimental and numerical studies of rotating drum grate furnace
Directory of Open Access Journals (Sweden)
Basista Grzegorz
2017-01-01
Full Text Available Waste material from the meat industry can be taken into account as a biofuel. Studies confirm, that calorific value is higher and ash content is lower comparing to some conventional fuels. EU directives regulate details of thermal disposal of the waste material from the meat industry - especially in range of the process temperature and time of the particle presence in area of the combustion zone. The paper describes design of the rotating drum grate stove, dedicated to thermal disposal of the meat wastes as well as solid biomass (pellet, small bricket, wood chips combustion. Device has been developed in frames of cooperation between AGH University of Science and Technology (Krakow, Poland and producer focused on technologies of energy utilization of biomass in distributed generation. Results of measurements of selected operational parameters performed during startup of the furnace have been presented and discussed. Furthermore, numerical model of the combustion process has been developed to complement experimental results in range of the temperature and oxygen distribution in the area of the combustion chamber. ANSYS CFX solver has been applied to perform simulations including rotational domain related with specifics of operation of the device. Results of numerical modelling and experimental studies have been summarized and compared.
A numerical study of a supercritical fluid jet
International Nuclear Information System (INIS)
Sierra-Pallares, J.; Garcia-Serna, J.; Cocero, M.J.; Parra-Santos, M.T.; Castro-Ruiz, F.
2009-01-01
This study affords the numerical solution of the mixing of a submerged turbulent jet under supercritical conditions and near-critical conditions. Turbulence plays a very important role in the behaviour of chemical engineering equipment. An accurate prediction of the turbulence at supercritical conditions with low computational cost is crucial in designing new processes such as reactions in supercritical media, high pressure separation processes, nanomaterials processing and heterogeneous catalysis. At high-pressure, the flow cannot be modelled accurately using the ideal-gas assumption. Therefore, the real gas models must be used in order to solve accurately the fluid flow and heat transfer problems where the working fluid behaviour deviate seriously from the ideal-gas assumption. The jet structure has three parts clearly distinguished: the injection, the transition and the fully developed jet. Once the flow is dominated by the turbulent eddies of the shear layer, the flow is fully developed and the radial profiles match a similarity profile. This work reports the state of the project that is not completed and is being processed now. This work is devoted to establish the distance downstream from the injector where the jet become self-preserving and the shape of the similarity profiles. This system is of interest in the design of supercritical reactor inlets, where two streams should be mixed in the shortest length, or mixing conditions strongly affect the behaviour of the processes. The numerical results have been validated with experimental measurements made in the jet mixing region. The radial profiles for average velocity, density and temperature are analyzed. The parameters of the profile that match better the numerical results are summarized in Table 1. The density requires a lower value of n than these for velocity and temperature, which reflect smoother profiles. These conclusions are in good agreement with the results from Oschwald and Schik. (author)
Numerical and experimental study on the steady cone-jet mode of electro-centrifugal spinning
Hashemi, Ali Reza; Pishevar, Ahmad Reza; Valipouri, Afsaneh; Pǎrǎu, Emilian I.
2018-01-01
This study focuses on a numerical investigation of an initial stable jet through the air-sealed electro-centrifugal spinning process, which is known as a viable method for the mass production of nanofibers. A liquid jet undergoing electric and centrifugal forces, as well as other forces, first travels in a stable trajectory and then goes through an unstable curled path to the collector. In numerical modeling, hydrodynamic equations have been solved using the perturbation method—and the boundary integral method has been implemented to efficiently solve the electric potential equation. Hydrodynamic equations have been coupled with the electric field using stress boundary conditions at the fluid-fluid interface. Perturbation equations were discretized by a second order finite difference method, and the Newton method was implemented to solve the discretized non-linear system. Also, the boundary element method was utilized to solve electrostatic equations. In the theoretical study, the fluid was described as a leaky dielectric with charges only on the surface of the jet traveling in dielectric air. The effect of the electric field induced around the nozzle tip on the jet instability and trajectory deviation was also experimentally studied through plate-plate geometry as well as point-plate geometry. It was numerically found that the centrifugal force prevails on electric force by increasing the rotational speed. Therefore, the alteration of the applied voltage does not significantly affect the jet thinning profile or the jet trajectory.
Mathematical study and numerical simulations of bi-kinetic plasma sheaths
International Nuclear Information System (INIS)
Badsi, Mehdi
2016-01-01
This thesis focuses on the construction and the numerical simulation theoretical models of plasmas in interaction with an absorbing wall. These models are based on two species Vlasov-Poisson or Vlasov-Ampere systems in the presence of boundary conditions. The expected stationary solutions must verify the balance of the flux of charges in the orthogonal direction to the wall. This feature is called the ambi-polarity. Through the study of a non linear Poisson equation, we prove the well-posedness of 1d-1v stationary Vlasov-Poisson system, for which we determine incoming particles distributions and a wall potential that induces the ambi-polarity as well as a non negative charge density hold. We also give a quantitative estimates of the thickness of the boundary layer that develops at the wall. These results are illustrated numerically. We prove the linear stability of the electronic stationary solution for a non-stationary Vlasov-Ampere system. Finally, we study a 1d-3v stationary Vlasov-Poisson system in the presence of a constant and parallel to the wall magnetic field. We determine incoming particles distributions and a wall potential so that the ambi-polarity holds. We study a non linear Poisson equation through a non linear functional energy that admits minimizers. We established some bounds on the numerical parameters inside which, our model is relevant and we propose an interpretation of the results. (author)
Numerical study on aerodynamics of banked wing in ground effect
Directory of Open Access Journals (Sweden)
Qing Jia
2016-03-01
Full Text Available Unlike conventional airplane, a WIG craft experiences righting moment and adverse yaw moment in banked turning in ground effect. Numerical simulations are carried out to study the aerodynamics of banked wing in ground effect. Configurations of rectangular wing and delta wing are considered, and performance of endplates and ailerons during banking are also studied. The study shows that righting moment increase nonlinearly with heeling angle, and endplates enhance the righting. The asymmetric aerodynamic distribution along span of wing with heeling angle introduces adverse yaw moment. Heeling in ground effect with small ground clearance increases the vertical aerodynamic force and makes WIG craft climb. Deflections of ailerons introduce lift decrease and a light pitching motion. Delta wing shows advantage in banked turning for smaller righting moment and adverse yaw moment during banking.
Protonation of caffeine: A theoretical and experimental study
Energy Technology Data Exchange (ETDEWEB)
Bahrami, Hamed [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Tabrizchi, Mahmoud, E-mail: m-tabriz@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Farrokhpour, Hossein [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)
2013-03-29
Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M{sup +} ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule.
Protonation of caffeine: A theoretical and experimental study
International Nuclear Information System (INIS)
Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein
2013-01-01
Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M + ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule
Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate
Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.
2015-01-01
Single crystals of 4-aminopyridinium picrate (APP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1, v/v) containing equimolar quantities of 4-aminopyridine and picric acid. Structure is elucidated by single crystal XRD analysis and the crystal belongs to monoclinic system with four molecules in the unit cell (space group P21/c) and the cell parameter values are, a = 8.513 Å (±0.015), b = 11.33 Å (±0.02), c = 14.33 Å (±0.03) and β = 104.15° (±0.019), V = 1340 A3 (±6) with refined R factors R1 = 0.0053 and wR2 = 0.0126. The electron density mapping is interpreted to find coordinates for each atom in the crystallized molecules. The various functional groups present in the molecule are confirmed by FT-IR analysis. UV-visible spectral analysis was used to determine the band gap energy of 4-aminopyridinium picrate. Powder X-ray diffraction pattern reveals the crystallinity of the as-grown crystal and it closely resembles the simulated XRD from the single crystal XRD analysis. Scanning electron microscopy reveals the surface morphology of the grown crystal. Optimized geometry is derived by Hartree-Fock theory calculations and the first-order molecular hyperpolarizability (β), theoretically calculated bond length, bond angles and excited state energy from theoretical UV-vis spectrum were estimated.
Numerical and Experimental Study of Amplitude Modulated Positive Corona Discharge
Directory of Open Access Journals (Sweden)
Pablo Martín GOMEZ
2014-12-01
Full Text Available The electrical behavior of a modulated positive corona discharge loudspeaker was studied. A coaxial transducer in air was built using a central copper wire of 75 mm radius (inner electrode and a perforated tube of 11 mm (outer electrode. A high voltage DC supply provided the bias current and a sinusoidal signal was superimposed to measure the discharge admittance. The experimental results could not be matched to previously reported equivalent circuits with fixed components. Using the basic equations that describe the ion motion, a numerical model was proposed. The computed values matched well the experimental data and suggested an equivalent circuit composed of frequency dependent conductance and capacitance. This dependence is closely related to the ion travel time between electrodes (transit time. Simulations carried out at several inter-electrode distances could be synthesized in a single plot where the different results overlap and further emphasize the role of the transit time. This numerical model proved to be an efficient tool to simulate and design modulated corona transducers.
Experimental and Numerical Study of Twin Underexpanded Impinging Jets
Institute of Scientific and Technical Information of China (English)
Minoru Yaga; Minoru Okano; Masumi Tamashiro; Kenyu Oyakawa
2003-01-01
In this paper, the dual underexpanded impinging jets are experimentally and numerically studied. The experiments were performed by measuring the unsteady and averaged wall static pressures and by visualizing density fields using schlieren method. Numerical calculations were also conducted by solving unsteady three dimensional compressible Navier-Stokes equations with Baldwin-Lomax turbulence model. The main parameters for the dual jets are the non-dimensional distance between the two nozzle centers H/D covering 1.5, 2.0, the nozzle to plate separation L/D 2.0, 3.0,4.0 and 5.0 and the pressure ratio defined by Po/Pb 1.0～6.0, where D is the diameter of each nozzle exit, Po the stagnation pressure and Pb the back pressure. It is found that the agreement between the experiments and the calculations is good. The fountain flow at the middle of the two jets is observed both in the experiments and the calculation. According to FFT analysis of the experiments for the twin jets,relatively low frequency (up to 5 kHz) is dominant for H/D =1.5, L/D =2.0 and pressure ratio Po/Pb =3.0 and 5.0,which is confirmed by the experiments.
A numerical study of non-linear crack tip parameters
Directory of Open Access Journals (Sweden)
F.V. Antunes
2015-07-01
Full Text Available Crack closure concept has been widely used to explain different issues of fatigue crack propagation. However, different authors have questioned the relevance of crack closure and have proposed alternative concepts. The main objective here is to check the effectiveness of crack closure concept by linking the contact of crack flanks with non-linear crack tip parameters. Accordingly, 3D-FE numerical models with and without contact were developed for a wide range of loading scenarios and the crack tip parameters usually linked to fatigue crack growth, namely range of cyclic plastic strain, crack tip opening displacement, size of reversed plastic zone and total plastic dissipation per cycle, were investigated. It was demonstrated that: i LEFM concepts are applicable to the problem under study; ii the crack closure phenomenon has a great influence on crack tip parameters decreasing their values; iii the Keff concept is able to explain the variations of crack tip parameters produced by the contact of crack flanks; iv the analysis of remote compliance is the best numerical parameter to quantify the crack opening level; v without contact there is no effect of stress ratio on crack tip parameters. Therefore it is proved that the crack closure concept is valid.
Numerical Boron mixing studies for Loviisa Nuclear Power Plant
Energy Technology Data Exchange (ETDEWEB)
Gango, P. [IVO International Ltd. (Finland)
1995-09-01
A program has been started for studying numerically boron mixing in the downcomer of Loviisa NPP (VVER-440). Mixing during the transport of a diluted slug from the loop to the core might serve as an inherent protection mechanism against severe reactivity accidents in inhomogenous boron dilution scenarios for PWRs. The commercial general purpose Computational Fluid Dynamics (CFD) core PHOENICS is used for solving the governing fluid flow equations in the downcomer geometry of VVER-440. So far numerical analyses have been performed for steady state operation conditions and two different pump driven transients. The steady state analyses focused on model development and validation against existing experimental data. The two pump driven transient scenarios reported are based on slug transport during the start of the sixth and first loop respectively. The results from the two transients show that mixing is case and plant specific; the high and open downcomer geometry of VVER-440 seems to be advantageous from mixing point of view. In addition the analyzing work for the {open_quotes}first pump start{close_quotes} scenario brought up some considerations about flow distribution in the existing experimental facilities.
Numerical Continuation Methods for Intrusive Uncertainty Quantification Studies
Energy Technology Data Exchange (ETDEWEB)
Safta, Cosmin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Najm, Habib N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Phipps, Eric Todd [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2014-09-01
Rigorous modeling of engineering systems relies on efficient propagation of uncertainty from input parameters to model outputs. In recent years, there has been substantial development of probabilistic polynomial chaos (PC) Uncertainty Quantification (UQ) methods, enabling studies in expensive computational models. One approach, termed ”intrusive”, involving reformulation of the governing equations, has been found to have superior computational performance compared to non-intrusive sampling-based methods in relevant large-scale problems, particularly in the context of emerging architectures. However, the utility of intrusive methods has been severely limited due to detrimental numerical instabilities associated with strong nonlinear physics. Previous methods for stabilizing these constructions tend to add unacceptably high computational costs, particularly in problems with many uncertain parameters. In order to address these challenges, we propose to adapt and improve numerical continuation methods for the robust time integration of intrusive PC system dynamics. We propose adaptive methods, starting with a small uncertainty for which the model has stable behavior and gradually moving to larger uncertainty where the instabilities are rampant, in a manner that provides a suitable solution.
Numerical and Experimental Study of Mechanisms Involved in Boiling Histotripsy.
Pahk, Ki Joo; Gélat, Pierre; Sinden, David; Dhar, Dipok Kumar; Saffari, Nader
2017-12-01
The aim of boiling histotripsy is to mechanically fractionate tissue as an alternative to thermal ablation for therapeutic applications. In general, the shape of a lesion produced by boiling histotripsy is tadpole like, consisting of a head and a tail. Although many studies have demonstrated the efficacy of boiling histotripsy for fractionating solid tumors, the exact mechanisms underpinning this phenomenon are not yet well understood, particularly the interaction of a boiling vapor bubble with incoming incident shockwaves. To investigate the mechanisms involved in boiling histotripsy, a high-speed camera with a passive cavitation detection system was used to observe the dynamics of bubbles produced in optically transparent tissue-mimicking gel phantoms exposed to the field of a 2.0-MHz high-intensity focused ultrasound (HIFU) transducer. We observed that boiling bubbles were generated in a localized heated region and cavitation clouds were subsequently induced ahead of the expanding bubble. This process was repeated with HIFU pulses and eventually resulted in a tadpole-shaped lesion. A simplified numerical model describing the scattering of the incident ultrasound wave by a vapor bubble was developed to help interpret the experimental observations. Together with the numerical results, these observations suggest that the overall size of a lesion induced by boiling histotripsy is dependent on the sizes of (i) the heated region at the HIFU focus and (ii) the backscattered acoustic field by the original vapor bubble. Copyright © 2017 World Federation for Ultrasound in Medicine and Biology. Published by Elsevier Inc. All rights reserved.
Numerical simulation system for environmental studies: SPEEDI-MP
International Nuclear Information System (INIS)
Nagai, Haruyasu; Chino, Masamichi; Terada, Hiroaki; Harayama, Takaya; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok; Furuno, Akiko
2006-09-01
A numerical simulation system SPEEDI-MP has been developed to apply for various environmental studies. SPEEDI-MP consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical database for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. System utility GUIs are based on the Web technology, allowing users to manipulate all the functions on the system using their own PCs via the internet. In this system, the source estimation function in the atmospheric transport model can be executed on the grid computer system. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)
Numerical study of Taylor bubbles with adaptive unstructured meshes
Xie, Zhihua; Pavlidis, Dimitrios; Percival, James; Pain, Chris; Matar, Omar; Hasan, Abbas; Azzopardi, Barry
2014-11-01
The Taylor bubble is a single long bubble which nearly fills the entire cross section of a liquid-filled circular tube. This type of bubble flow regime often occurs in gas-liquid slug flows in many industrial applications, including oil-and-gas production, chemical and nuclear reactors, and heat exchangers. The objective of this study is to investigate the fluid dynamics of Taylor bubbles rising in a vertical pipe filled with oils of extremely high viscosity (mimicking the ``heavy oils'' found in the oil-and-gas industry). A modelling and simulation framework is presented here which can modify and adapt anisotropic unstructured meshes to better represent the underlying physics of bubble rise and reduce the computational effort without sacrificing accuracy. The numerical framework consists of a mixed control-volume and finite-element formulation, a ``volume of fluid''-type method for the interface capturing based on a compressive control volume advection method, and a force-balanced algorithm for the surface tension implementation. Numerical examples of some benchmark tests and the dynamics of Taylor bubbles are presented to show the capability of this method. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.
Numerical Study of Photoacoustic Pressure for Cancer Therapy
Directory of Open Access Journals (Sweden)
Thomas Grosges
2016-11-01
Full Text Available A commonly used therapy for cancer is based on the necrosis of cells induced by heating through the illumination of nanoparticles embedded in cells. Recently, the photoacoustic pressure shock induced by the illumination pulse was proved and this points to another means of cell destruction. The purpose of this study is to propose a model of the photoacoustic pressure in cells. The numerical resolution of the problem requires the accurate computation of the electromagnetism, the temperature and the pressure around the nanostructures embedded in a cell. Here, the problem of the interaction between an electromagnetic excitation and a gold nanoparticle embedded in a cell domain is solved. The variations of the thermal and photoacoustic pressures are studied in order to analyze the pressure shock wave inducing the collapse of the cell’s membrane in cancer therapy.
Theoretical Advanced Study Institute in Elementary Particle Physics
2017-01-01
The program will consist of a pedagogical series of lectures and seminars. Lectures will be given over a four-week period, three or four lectures per day, Monday through Friday. The audience will be composed primarily of advanced theoretical graduate students. Experimentalists with a strong background in theory are also encouraged to apply. Some post-doctoral fellows will be admitted, but preference will be given to applicants who will not have received their Ph.D. before 2017. The minimum background needed to get full benefit of TASI is a knowledge of quantum field theory (including RGEs) and familiarity with the Standard Model. Some familiarity with SUSY would be helpful. We hope to provide some subsidy, but students will need partial support from other sources. Rooms, meals, and access to all facilities will be provided at reasonable rates in beautifully located dormitories at the University of Colorado.
Supplement to final report for ''Theoretical studies in tokamaks''
International Nuclear Information System (INIS)
McBride, J.B.
1992-07-01
In a previous report we summarized the results obtained for Task I of Contract Number AC03-88ER53270 for the two-year period of performance of the work supported by the contract. That report constituted the final report for Task 1. Since then, the contract was extended and the funding for Task I was incremented with $35K of new funds. The purpose for incrementing the contract was to begin a collaboration with the PBX-M group at Princeton Plasma Physics Laboratory (PPPL) in the area of ion Bernstein wave (IBW) effects in the PBX-M experiment. This report summarizes the initial results of that collaboration obtained under the incremental continuation funding. In the intervening period, experimental and theoretical program directions changed so that no further funds were committed to Task 1
Excitons in van der Waals Heterostructures: A theoretical study
DEFF Research Database (Denmark)
Latini, Simone
)electronics devices, e.g. light emitting diodes, solar cells, ultra-fast photodetectors, transistors etc., have been successfully fabricated. It is well established that for isolated 2D semiconductors and vdWHs the optical response is governed by excitonic effects. While it is understood that the reduced amount...... of electronic screening in freestanding 2D materials is the main origin of extraordinarily strongly bound excitons, a theoretical understanding of excitonic effects and of how the electronic screening is affected for the more complex case of multi-layer structures is still lacking due to the computational...... in a generalized hydrogenic model to compute exciton binding energies in isolated, supported, or encapsulated 2D semiconductors. The non-locality of the dielectric screening is inherently included in our method and we can successfully describe the non-hydrogenic Rydberg series of low-dimensional systems...
A theoretical study on a convergence problem of nodal methods
Energy Technology Data Exchange (ETDEWEB)
Shaohong, Z.; Ziyong, L. [Shanghai Jiao Tong Univ., 1954 Hua Shan Road, Shanghai, 200030 (China); Chao, Y. A. [Westinghouse Electric Company, P. O. Box 355, Pittsburgh, PA 15230-0355 (United States)
2006-07-01
The effectiveness of modern nodal methods is largely due to its use of the information from the analytical flux solution inside a homogeneous node. As a result, the nodal coupling coefficients depend explicitly or implicitly on the evolving Eigen-value of a problem during its solution iteration process. This poses an inherently non-linear matrix Eigen-value iteration problem. This paper points out analytically that, whenever the half wave length of an evolving node interior analytic solution becomes smaller than the size of that node, this non-linear iteration problem can become inherently unstable and theoretically can always be non-convergent or converge to higher order harmonics. This phenomenon is confirmed, demonstrated and analyzed via the simplest 1-D problem solved by the simplest analytic nodal method, the Analytic Coarse Mesh Finite Difference (ACMFD, [1]) method. (authors)
Road Surfaces And Earthquake Engineering: A Theoretical And Experimental Study
International Nuclear Information System (INIS)
Pratico, Filippo Giammaria
2008-01-01
As is well known, road surfaces greatly affect vehicle-road interaction. As a consequence, road surfaces have a paramount influence on road safety and pavement management systems. On the other hand, earthquakes produce deformations able to modify road surface structure, properties and performance. In the light of these facts, the main goal of this paper has been confined into the modelling of road surface before, during and after the seismic event. The fundamentals of road surface texture theory have been stated in a general formulation. Models in the field of road profile generation and theoretical properties, before, during and after the earthquake, have been formulated and discussed. Practical applications can be hypothesised in the field of vehicle-road interaction as a result of road surface texture derived from deformations and accelerations caused by seismic or similar events
Asymptotic and numerical studies of a differential-delay system
Semak, Matthew Richard
A singularly-perturbed differential-delay equation is studied the form of which is seen in various fields. Relaxation effects are combined with nonlinear driving from the past in this system. Having an infinite dimensional phase space, this flow is capable of very interesting behavior. Among the rich aspects of the dynamics of such a relation, period doubling can be observed as parameters are varied. Rigorous proofs concerning the existence of such periodic solutions can be found in the literature. Attention is given to the (first) Hopf bifurcation as the periodic structure is born. Key questions concern the limit of fast relaxation. In this limit, one can analytically understand the development of the periodic solution in the neighborhood of the bifurcation along with the frequency shift which is encountered. This limit also reveals the underlying mapping structure present. In the model studied, this is the logistic map the behavior of which is well-known. Convergence of periodic solutions to the mapping's square wave involves central issues in this work. An analogue to Gibb's phenomenon presents itself as the mapping structure is approached for a certain range of parameters. Transition layers also exist and, together with the latter, present a challenge to various computational approaches. A highly accurate and efficient spectral numerical technique is introduced to properly resolve such behavior in the limit studied. This scheme is used to measure the period's dependence on the relaxation rate in this region of parameter space. Also, numerically assisted asymptotic analysis develops relations for the layers. Moreover, regimes of parameter values have been identified for which there exist extremely long-lived transient states of arbitrarily complex form. Finally, initial interval states are designed which lead to specific long-lived multi-layer patterns of significant complexity. Layer-layer interactions are considered concerning the formation and lifetime of
Directory of Open Access Journals (Sweden)
Kleinstreuer Clement
2011-01-01
Full Text Available Abstract Correction to Kleinstreuer C, Feng Y: Experimental and theoretical studies of nanofluid thermal conductivity enhancement: a review. Nanoscale Research Letters 2011, 6:229.
Numerical and Experimental Study of Friction Loss in Hydrostatic Motor
DEFF Research Database (Denmark)
Sørensen, Rasmus Mørk; Hansen, Michael R.; Mouritsen, Ole Ø.
2012-01-01
This paper presents a numerical and experimental study of the losses in a hydrostatic motor principle. The motor is designed so that the structural de ections and lubricating regimes between moving surfaces and, subsequently, the leakage and friction losses, can be controlled during operation....... This is done by means of additional pressure volumes that in uence the stator de ection. These pressures are referred to as compensation pressures and the main emphasis is on friction or torque loss modeling of the motor as a function of the compensation pressures and the high and low pressures related...... to the load torque. The torque loss modeling is identied as a Stribeck curve which depends on gap height. The asperity friction is decreasing exponentially with an increase in gap height. The parameters of the torque loss model are based on prototype measurements that include the structural de ections...
Numerical study of non-ideal Vlasov-BGK plasmas
International Nuclear Information System (INIS)
Levchenko, V.D.; Sigov, Y.S.; Premuda, F.
1995-01-01
A relatively simple quasi-classical description of quantum plasmas using as first approximation the Bhatnagar-Gross-Krook (BGK) collision integral, if combined with the modern numerical simulation methods, might be effective tool of a deep study of non-ideal plasma kinetics in a variety of urgent applications as inertial confinement and cold fusion, transport and collective properties of highly condensed plasmas in liquid metals, semi- and superconductors and others. Consider one-dimensional degenerate plasma consisting of thermal electrons and thermal bosons (deuterons) in the vicinity of the equilibrium Fermi- and Bose-type distributions respectively. In the frame of our rough mixed model we solve Vlasov-BGK-Poisson eqs using simplified version of the SUR code
Numerical study of impact erosion of multiple solid particle
Zheng, Chao; Liu, Yonghong; Chen, Cheng; Qin, Jie; Ji, Renjie; Cai, Baoping
2017-11-01
Material erosion caused by continuous particle impingement during hydraulic fracturing results in significant economic loss and increased production risks. The erosion process is complex and has not been clearly explained through physical experiments. To address this problem, a multiple particle model in a 3D configuration was proposed to investigate the dynamic erosion process. This approach can significantly reduce experiment costs. The numerical model considered material damping and elastic-plastic material behavior of target material. The effects of impact parameters on erosion characteristics, such as plastic deformation, contact time, and energy loss rate, were investigated. Based on comprehensive studies, the dynamic erosion mechanism and geometry evolution of eroded crater was obtained. These findings can provide a detailed erosion process of target material and insights into the material erosion caused by multiple particle impingement.
NATO Advanced Study Institute on Advanced Physical Oceanographic Numerical Modelling
1986-01-01
This book is a direct result of the NATO Advanced Study Institute held in Banyuls-sur-mer, France, June 1985. The Institute had the same title as this book. It was held at Laboratoire Arago. Eighty lecturers and students from almost all NATO countries attended. The purpose was to review the state of the art of physical oceanographic numerical modelling including the parameterization of physical processes. This book represents a cross-section of the lectures presented at the ASI. It covers elementary mathematical aspects through large scale practical aspects of ocean circulation calculations. It does not encompass every facet of the science of oceanographic modelling. We have, however, captured most of the essence of mesoscale and large-scale ocean modelling for blue water and shallow seas. There have been considerable advances in modelling coastal circulation which are not included. The methods section does not include important material on phase and group velocity errors, selection of grid structures, advanc...
Numerical Study of Shock-Cylinder Banks Interactions
International Nuclear Information System (INIS)
Wang, S.P.; Anderson, M.H.; Oakley, J.G.; Bonazza, R.
2003-01-01
A numerical parametric study of shock-cylinder banks interactions is presented using a high resolution Euler solver. Staggered cylinder banks of five rows are chosen with the purpose of modeling IFE reactor cooling tube banks. The effect of the aspect ratio of the intercylinder pitch to the distance between successive cylinder rows on the vertical pressure forces acting on the cylinders with different geometries is investigated. Preliminary results show that the largest vertical force develops on the cylinders of the second or third row. This peak pressure force increases with decreasing values of the aspect ratio. It is shown that an increasing second force peak also appears on the successive rows, starting with the second one, with decreasing aspect ratio. It is also observed that the force on the last-row cylinders basically decreases to the level of that on the first row. The results are useful for the optimal design of the cooling tubes system of IFE reactors
Numerical study of the axisymmetric ideal MHD stability of Extrap
International Nuclear Information System (INIS)
Benda, M.
1993-04-01
A numerical study of the free-boundary axisymmetric (n=0) ideal magnetohydrodynamical (MHD) motions of the Extrap device is presented. The dependence of stability on current profiles in the plasma and currents in the external conductors is investigated. Results are shown for linear growth-rates and nonlinear saturation amplitudes and their dependence on plasma radius as well as on the conducting shell radius. A method combined of two different algorithms has been developed and tested. The interior region of the plasma is simulated by means of a Lagrangian Finite Element Method (FEM) for ideal magnetohydrodynamics, The method is based on a nonlinear radiation principle for the Lagrangian description of ideal MHD. The Boundary Element Method (BEM) is used together with the Lagrangian FEM to simulate nonlinear motion of an ideal MHD plasma behaviour in a vacuum region under the influence of external magnetic fields. 31 refs
Numerical study of drop spreading on a flat surface
Wang, Sheng; Desjardins, Olivier
2017-11-01
In this talk, we perform a numerical study of a droplet on a flat surface with special emphasis on capturing the spreading dynamics. The computational methodology employed is tailored for simulating large-scale two-phase flows within complex geometries. It combines a conservative level-set method to capture the liquid-gas interface, a conservative immersed boundary method to represent the solid-fluid interface, and a sub-grid curvature model at the triple-point to implicitly impose the contact angle of the liquid-gas interface. The performance of the approach is assessed in the inertial droplet spreading regime, the viscous spreading regime of high viscosity drops, and with the capillary oscillation of low viscosity droplets.
Modeling and numerical study of two phase flow
International Nuclear Information System (INIS)
Champmartin, A.
2011-01-01
This thesis describes the modelization and the simulation of two-phase systems composed of droplets moving in a gas. The two phases interact with each other and the type of model to consider directly depends on the type of simulations targeted. In the first part, the two phases are considered as fluid and are described using a mixture model with a drift relation (to be able to follow the relative velocity between the two phases and take into account two velocities), the two-phase flows are assumed at the equilibrium in temperature and pressure. This part of the manuscript consists of the derivation of the equations, writing a numerical scheme associated with this set of equations, a study of this scheme and simulations. A mathematical study of this model (hyperbolicity in a simplified framework, linear stability analysis of the system around a steady state) was conducted in a frame where the gas is assumed baro-tropic. The second part is devoted to the modelization of the effect of inelastic collisions on the particles when the time of the simulation is shorter and the droplets can no longer be seen as a fluid. We introduce a model of inelastic collisions for droplets in a spray, leading to a specific Boltzmann kernel. Then, we build caricatures of this kernel of BGK type, in which the behavior of the first moments of the solution of the Boltzmann equation (that is mass, momentum, directional temperatures, variance of the internal energy) are mimicked. The quality of these caricatures is tested numerically at the end. (author) [fr
We need theoretical physics approaches to study living systems
Blagoev, Krastan B.; Shukla, Kamal; affil="3" >Herbert Levine,
2013-08-01
Living systems, as created initially by the transition from assemblies of large molecules to self-reproducing information-rich cells, have for centuries been studied via the empirical toolkit of biology. This has been a highly successful enterprise, bringing us from the vague non-scientific notions of vitalism to the modern appreciation of the biophysical and biochemical bases of life. Yet, the truly mind-boggling complexity of even the simplest self-sufficient cells, let alone the emergence of multicellular organisms, of brain and consciousness, and to ecological communities and human civilizations, calls out for a complementary approach. In this editorial, we propose that theoretical physics can play an essential role in making sense of living matter. When faced with a highly complex system, a physicist builds simplified models. Quoting Philip W Anderson's Nobel prize address, 'the art of model-building is the exclusion of real but irrelevant parts of the problem and entails hazards for the builder and the reader. The builder may leave out something genuinely relevant and the reader, armed with too sophisticated an experimental probe, may take literally a schematized model. Very often such a simplified model throws more light on the real working of nature....' In his formulation, the job of a theorist is to get at the crux of the system by ignoring details and yet to find a testable consequence of the resulting simple picture. This is rather different than the predilection of the applied mathematician who wants to include all the known details in the hope of a quantitative simulacrum of reality. These efforts may be practically useful, but do not usually lead to increased understanding. To illustrate how this works, we can look at a non-living example of complex behavior that was afforded by spatiotemporal patterning in the Belousov-Zhabotinsky reaction [1]. Physicists who worked on this system did not attempt to determine all the relevant chemical intermediates
A unified theoretical and experimental study of anisotropic hardening
International Nuclear Information System (INIS)
Boehler, J.P.; Raclin, J.
1981-01-01
The purpose of this work is to develop a consistent formulation of the constitutive relations regarding anisotropic hardening materials. Attention is focused on the appearance and the evolution of mechanical anisotropies during irreversible processes, such as plastic forming and inelastic deformation of structures. The representation theorems for anisotropic tensor functions constitute a theoretical basis, allowing to reduce arbitrariness and to obtain a unified formulation of anisotropic hardening. In this approach, a general three-dimensional constitutive law is developed for prestrained initially orthotropic materials. Introduction of the plastic behavior results in the general forms of both the flow-law and the yield criterion. The developed theory is then specialized for the case of plane stress and different modes of anisotropic hardening are analyzed. A new generalization of the Von Mises criterion is proposed, in considering a homogeneous form of order two in stress and employing the simplest combinations of the basic invariants entering the general form of the yield condition. The proposed criterion involves specific terms accounting for the initial anisotropy, the deformation induced anisotropy and correlative terms between initial and induced anisotropy. The effects of prestrainings result in both isotropic and anisotropic hardening. An adequate experimental program, consisting of uniaxial tensile tests on oriented specimens of prestrained sheet-metal, was performed, in order to determine the specific form and the evolution of the anisotropic failure criterion for soft-steel subjected to different irreversible prestrainings. (orig.)
Theoretical studies in medium-energy nuclear and hadronic physics
International Nuclear Information System (INIS)
Horowitz, C.J.; Macfarlane, M.H.; Matsui, T.; Serot, B.D.
1993-01-01
A proposal for theoretical nuclear physics research is made for the period April 1, 1993 through March 31, 1996. Research is proposed in the following areas: relativistic many-body theory of nuclei and nuclear matter, quasifree electroweak scattering and strange quarks in nuclei, dynamical effects in (e,e'p) scattering at large momentum transfer, investigating the nucleon's parton sea with polarized leptoproduction, physics of ultrarelativistic nucleus endash nucleus collisions, QCD sum rules and hadronic properties, non-relativistic models of nuclear reactions, and spin and color correlations in a quark-exchange model of nuclear matter. Highlights of recent research, vitae of principal investigators, and lists of publications and invited talks are also given. Recent research dealt primarily with medium-energy nuclear physics, relativistic theories of nuclei and the nuclear response, the nuclear equation of state under extreme conditions, the dynamics of the quark endash gluon plasma in relativistic heavy-ion collisions, and theories of the nucleon endash nucleon force
Theoretical and Experimental Studies of Elementary Particle Physics
Energy Technology Data Exchange (ETDEWEB)
Evans, Harold G [Indiana University; Kostelecky, V Alan [Indiana University; Musser, James A [Indiana University
2013-07-29
The elementary particle physics research program at Indiana University spans a broad range of the most interesting topics in this fundamental field, including important contributions to each of the frontiers identified in the recent report of HEPAP's Particle Physics Prioritization Panel: the Energy Frontier, the Intensity Frontier, and the Cosmic Frontier. Experimentally, we contribute to knowledge at the Energy Frontier through our work on the D0 and ATLAS collaborations. We work at the Intensity Frontier on the MINOS and NOvA experiments and participate in R&D for LBNE. We are also very active on the theoretical side of each of these areas with internationally recognized efforts in phenomenology both in and beyond the Standard Model and in lattice QCD. Finally, although not part of this grant, members of the Indiana University particle physics group have strong involvement in several astrophysics projects at the Cosmic Frontier. Our research efforts are divided into three task areas. The Task A group works on D0 and ATLAS; Task B is our theory group; and Task C contains our MINOS, NOvA, and LBNE (LArTPC) research. Each task includes contributions from faculty, senior scientists, postdocs, graduate and undergraduate students, engineers, technicians, and administrative personnel. This work was supported by DOE Grant DE-FG02-91ER40661. In the following, we describe progress made in the research of each task during the final period of the grant, from November 1, 2009 to April 30, 2013.
Experimental and theoretical studies of 3-benzyloxy-2-nitropyridine
Sun, Wenting; Cui, Yu; Liu, Huimin; Zhao, Haitao; Zhang, Wenqin
2012-10-01
The structure of 3-benzyloxy-2-nitropyridine has been investigated both experimentally and theoretically. The X-ray crystallography results show that the nitro group is tilted out of the pyridine ring plane by 66.4(4)°, which is mainly attributed to the electron-electron repulsions of the lone pairs in O atom of the 3-benzyloxy moiety with O atom in nitro group. An interesting centrosymmetric π-stacking molecular pair has been found in the crystalline state, which results in the approximate coplanarity of the pyridine ring with the benzene ring. The calculated results show that the dihedral angle between the nitro group and pyridine ring from the X3LYP method is much closer to the experimental data than that from the M06-2X one. The existing two conformational isomers of 3-benzyloxy-2-nitropyridine with equal energy explain well the disorder of the nitro group at room temperature. In addition, the vibrational frequencies are also calculated by the X3LYP and M06-2X methods and compared with the experimental results. The prediction from the X3LYP method coincides with the locations of the experimental frequencies well.
Dissociation of the Phenylarsane Molecular Ion: A Theoretical Study
Energy Technology Data Exchange (ETDEWEB)
Kim, Sun Young; Choe, Joong Chul [Dongguk University, Seoul (Korea, Republic of)
2010-09-15
The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of H· were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of H{sub 2} was more favored than the loss of H·, but the H· loss competed with the H{sub 2} loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an α-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of H· and the losses of As· and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of [M-H]{sup +} and [M-H{sub 2}]{sup +·} were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.
A numerical study for global atmospheric transport-chemistry problems
E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)
1998-01-01
htmlabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents
A numerical study for global atmospheric transport-chemistry problems
E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)
1997-01-01
textabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents
Theoretical and Numerical Study of Growth in Multi-Component Alloys
Lahiri, Arka; Abinandanan, T. A.; Choudhury, Abhik
2017-10-01
In multi-component systems, during diffusion-controlled growth of a precipitate from a supersaturated matrix, differential diffusivities lead to a selection of tie-line compositions different from the thermodynamic tie-line containing the alloy composition. In this paper, we address the multi-component version of the growth problem by extending Zener's theory, and derive analytical expressions for predicting tie-lines and composition profiles in the matrix during growth of planar, cylindrical, and spherical precipitates for independent as well as coupled diffusion of solutes in the scaling regime. We confirm our calculations by sharp interface and phase-field simulations in a ternary setting, in which we also extend the tie-line and growth constant predictions for two well-known limiting cases, namely partition and negligible partition under local equilibrium (PLE and NPLE).
Numerical and Theoretical Studies of Turbulence and Transport with E x B Shear Flows
International Nuclear Information System (INIS)
Krommes, J.A.; Chance, M.S.; Hahm, T.S.; Lin, Z.
1999-01-01
This paper reports: (1) substantial transport reduction by turbulence-driven E x B flows observed in 3D nonlinear gyrokinetic simulations of microturbulence in magnetically-confined toroidal plasmas; (2) analytical derivation of the effective shearing rate for the time-dependent E x B flow; (3) interpretation of experimental data using linear gyrokinetic microinstability rotation models of E x B shear; and (4) other developments in gyrokinetic theory and simulation
Numerical Study of Motion of Falling Conical Graupel
Chueh, Chih-Che; Wang, Pao K.; Hashino, Tempei
2018-01-01
In the present study, the attitudes of freely-falling conical graupel with a realistic range of densities are investigated numerically by solving the transient Navier-Stokes equations and the body dynamics equations representing the 6-degrees-of-freedom motion. This framework allows us to determine the position and orientation of the graupel in response to the hydrodynamic force of the flow fields. The results show more significant horizontal movements than those cases with a fixed bulk density of ice assumed in our previous study. This is because the real graupel particles possess the density less than the bulk density of ice, which, in turn, leads to a relatively small mass and a relatively small set of moments of inertia. We demonstrate that, with the six degrees of freedom considered together, when Reynolds number is small, a typical damped oscillation occurs, whereas when Reynolds number is high, amplifying oscillation may occur which leads to more complicated and unpredictable flying attitudes such as tumbling. The drag coefficients obtained in the present study agree with the previous studies and can be approximated by that of spheres of the same Reynolds numbers. We also show that conical graupel can perform significant horizontal translations which can be on the order of 1 km in 1 h.
Recent results of seismic isolation study in CRIEPI: Numerical activities
International Nuclear Information System (INIS)
Shiojiri, Hiroo; Ishida, Katsuhiko; Yabana, Shurichi; Hirata, Kazuta
1992-01-01
Development of detailed numerical models of a bearing and the related isolation system Is necessary for establishing the rational design of the bearing and the system. The developed numerical models should be validated regarding the physical parameters and the basic assumption by comparing the experimental results with the numerical ones. The numerical work being conducted in CRIEPI consists of the following items: (1) Simple modeling of the behavior of the bearings capable of approximating the tests on bearings, and the validation of the model for the bearing by comparing the numerical results adopting the models with the shaking table tests results; (2) Detailed three-dimensional modeling of single bearings with finite-element codes, and the experimental validation of the model; (3)Simple and detailed three-dimensional modeling of isolation buildings and experimental validation
Theoretical analysis and experimental study of spray degassing method
International Nuclear Information System (INIS)
Wu Ruizhi; Shu Da; Sun Baode; Wang Jun; Li Fei; Chen Haiyan; Lu YanLing
2005-01-01
A new hydrogen-removal method of aluminum melt, spray degassing, is presented. The thermodynamic and kinetic analysis of the method are discussed. A comparison between the thermodynamics and kinetics of the spray degassing method and rotary impellor degassing method is made. The thermodynamic analysis shows that the relationship between the final hydrogen content of the aluminum melt and the ratio of purge gas flow rate to melt flow rate is linear. The result of thermodynamic calculation shows that, in spray degassing, when the ratio of G/q is larger than 2.2 x 10 -6 , the final hydrogen content will be less than 0.1 ml/100 g Al. From the kinetic analysis, the degassing effect is affected by both the size of melt droplets and the time that melt droplets move from sprayer to the bottom of the treatment tank. In numerical calculation, the hydrogen in aluminum melt can be degassed to 0.05 ml/100 g Al from 0.2 ml/100 g Al in 0.02 s with the spray degassing method. Finally, the water-model experiments are presented with the spray degassing method and rotary impellor degassing method. Melt experiments are also presented. Both the water-model experiments and the melt experiments show that the degassing effect of the spray degassing method is better than that of the rotary impeller method
Theoretical and experimental studies of the orbit expansion effect
International Nuclear Information System (INIS)
Glazov, A.A.; Denisov, Yu.N.; Dmitrievskij, V.P.
1985-01-01
Calculation and experiment results of investigations on the orbit expansion effect in the periodic magnetic structures are considered. Experiments, conducted with the use of ring cyclotron electron model, have shown, that the orbit expansion effect leads to the beam cross section radial size increase. This phenomenon was eliminated through the introduction of correction coils, which provide for the required low harmonic phase and value change in the whole acceleration area. Energy spread leads to the spreading of beam in the expansion area. Numeric calculations show, that for the electron model used the relative energy spread must be less than 10 -3 . The conclusion is drawn, that the only real possibility to obtain an accelerated beam with such an energy spread is to perform the ''flat-top'' regime. Equipment for cyclotron electron model RF supply is developed and produced to realise this regime. Particle dinamics calculation in the ''flat-top'' regime and the first experiments have shown, that acceleration asymmetry leads to the rapid coherent oscillation swing in the centre up to the amplitude of 6-7 sm
Theoretical studies of some nonlinear laser-plasma interactions
International Nuclear Information System (INIS)
Cohen, B.I.
1975-01-01
The nonlinear coupling of intense, monochromatic, electromagnetic radiation with plasma is considered in a number of special cases. The first part of the thesis serves as an introduction to three-wave interactions. A general formulation of the stimulated scattering of transverse waves by longitudinal modes in a warm, unmagnetized, uniform plasma is constructed. A general dispersion relation is derived that describes Raman and Brillouin scattering, modulational instability, and induced Thomson scattering. Raman scattering (the scattering of a photon into another photon and an electron plasma wave) is investigated as a possible plasma heating scheme. Analytic theory complemented by computer simulation is presented describing the nonlinear mode coupling of laser light with small and large amplitude, resonantly excited electron plasma waves. The simulated scattering of a coherent electromagnetic wave by low frequency density perturbations in homogeneous plasma is discussed. A composite picture of the linear dispersion relations for filamentation and Brillouin scattering is constructed. The absolute instability of Brillouin weak and strong coupling by analytic and numerical means is described
Theoretical study of symmetry of flux onto a capsule
Energy Technology Data Exchange (ETDEWEB)
Duan, Hao; Wu, Changshu; Zou, Shiyang, E-mail: duan-hao@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China); Pei, Wenbing [Shanghai Institute of Laser Plasma, China Academy of Engineering Physics, Shanghai 201800 (China)
2015-09-15
An analytic model to describe the flux asymmetry onto a capsule based on the viewfactor approximation is developed and verified with numerical simulations. By using a nested spheres technique to represent the various sources of flux asymmetry, the model can treat spherically and cylindrically symmetric hohlraums, e.g., cylinder, elliptic, and rugby. This approach includes the more realistic case of frequency-dependent flux asymmetry compared with the more standard frequency-integrated or single-frequency approaches [D. W. Phillion and S. M. Pollaine, Phys. Plasmas 1, 2963 (1994)]. Correspondingly, the approach can be used to assess x-ray preheat asymmetry generated from localized laser absorption in the high-Z hohlraum wall. For spherical hohlraums with 4, 6, or 8 laser entrance holes (LEHs), an optimal configuration of LEHs, laser spot placement, and angle-of-incidence of the single-ringed laser beams is defined. An analogy between minimizing the flux asymmetry onto a capsule and the Thomson problem of point charge placement on a sphere for minimized energy is shown.
Theoretical study of symmetry of flux onto a capsule
International Nuclear Information System (INIS)
Duan, Hao; Wu, Changshu; Zou, Shiyang; Pei, Wenbing
2015-01-01
An analytic model to describe the flux asymmetry onto a capsule based on the viewfactor approximation is developed and verified with numerical simulations. By using a nested spheres technique to represent the various sources of flux asymmetry, the model can treat spherically and cylindrically symmetric hohlraums, e.g., cylinder, elliptic, and rugby. This approach includes the more realistic case of frequency-dependent flux asymmetry compared with the more standard frequency-integrated or single-frequency approaches [D. W. Phillion and S. M. Pollaine, Phys. Plasmas 1, 2963 (1994)]. Correspondingly, the approach can be used to assess x-ray preheat asymmetry generated from localized laser absorption in the high-Z hohlraum wall. For spherical hohlraums with 4, 6, or 8 laser entrance holes (LEHs), an optimal configuration of LEHs, laser spot placement, and angle-of-incidence of the single-ringed laser beams is defined. An analogy between minimizing the flux asymmetry onto a capsule and the Thomson problem of point charge placement on a sphere for minimized energy is shown
Theoretical and experimental study of vibration, generated by monorail trains
Rybak, Samuil A.; Makhortykh, Sergey A.; Kostarev, Stanislav A.
2002-11-01
Monorail transport as all other city transport vehicles is the source of high noise and vibration levels. It is less widespread than cars or underground transport but its influence in modern cities enhances. Now in Moscow the first monorail road with trains on tires is designed, therefore the problem of vibration and noise assessments and prediction of its impact on the residential region appears. To assess the levels of generated vibration a physical model of interaction in the system wagon-tire-road coating-viaduct-soil has been proposed and then numerically analyzed. The model is based on the known from publications facts of automobile transport vibration and our own practice concerning underground trains vibration generation. To verify computer simulation results and adjust model parameters the series of measurements of noise and vibration near experimental monorail road was carried out. In the report the results of calculations and measurements will be presented and some outcomes of possible acoustical ecologic situation near monorail roads will be proposed.
Experimental and numerical study of pleated filters clogging
International Nuclear Information System (INIS)
Gervais, Pierre-Colin
2013-01-01
Pleated filters are widely used in air treatments because of the advantageous effective surface to overall dimension ratio they offer. Their major drawback though resides in their reduced lifetime which still needs to be controlled. Indeed, when clogging, the pressure drop considerably increases, the filtration flow is then no longer maintained which might lead to the deterioration of the media. It is then crucial to characterize the evolution of the pressure drop under operating conditions in order to best design these equipments. Part of our work consisted in studying how the operating conditions influence the geometry of the deposit. To do so, we used Single- Photon Emission Computed Tomography (SPECT), a non-destructive imaging technique that keeps intact the particle structuring. The visualization of aerosol deposit at the beginning of the filtration process allows observing preferential particle deposition on the whole height of the pleat. A numerical approach was used to study the permeability of bimodal fibrous media and we experimentally studied the local velocity as well as the biphasic flow inside pleated filter media. Comparison between experiments and simulations allowed us to validate the Geodict code for a wide range of media properties and velocities. Regarding bimodal fibrous media, the fast data acquisition has allowed testing several existing models which resulted in classifying them in a unique way. If the experimental results on the initial deposition in pleated filters are encouraging, those related to beforehand clogging point to several improvements regarding the technique we used. (author) [fr
Numerical study of heat transfer characteristics in BOG heat exchanger
Yan, Yan; Pfotenhauer, John M.; Miller, Franklin; Ni, Zhonghua; Zhi, Xiaoqin
2016-12-01
In this study, a numerical study of turbulent flow and the heat transfer process in a boil-off liquefied natural gas (BOG) heat exchanger was performed. Finite volume computational fluid dynamics and the k - ω based shear stress transport model were applied to simulate thermal flow of BOG and ethylene glycol in a full-sized 3D tubular heat exchanger. The simulation model has been validated and compared with the engineering specification data from its supplier. In order to investigate thermal characteristics of the heat exchanger, velocity, temperature, heat flux and thermal response were studied under different mass flowrates in the shell-side. The shell-side flow pattern is mostly determined by viscous forces, which lead to a small velocity and low temperature buffer area in the bottom-right corner of the heat exchanger. Changing the shell-side mass flowrate could result in different distributions of the shell-side flow. However, the distribution in the BOG will remain in a relatively stable pattern. Heat flux increases along with the shell-side mass flowrate, but the increase is not linear. The ratio of increased heat flux to the mass flow interval is superior at lower mass flow conditions, and the threshold mass flow for stable working conditions is defined as greater than 0.41 kg/s.
A numerical study of non-isothermal turbulent coaxial jets
Energy Technology Data Exchange (ETDEWEB)
Kriaa, Wassim; Abderrazak, Kamel; Mhiri, Hatem [Ecole Nationale d' Ingenieurs de Monastir, Laboratoire de Mecanique des Fluides et Thermique, Monastir (Tunisia); Palec, Georges le; Bournot, Philippe [Institut de Mecanique de Marseille, Marseille (France)
2008-07-15
In this work, we propose to study non isothermal air-air coaxial jets with two different approaches: parabolic and elliptic approaches. The standard k-{epsilon} model and the RSM model were applied in this study. The numerical resolution of the equations governing this flow type was carried out for: the parabolic approach, by a ''home-made'' CFD code based on a finite difference method, and the elliptic approach by an industrial code (FLUENT) based on a finite volume method. In forced convection mode (Fr={infinity}), the two turbulence models are valid for the prediction of the mean flow. But for turbulent sizes, k-{epsilon} model gives results closer to those achieved in experiments compared to RSM Model. Concerning the limit of validity of the parabolic and elliptic approaches, we showed that for velocities ratio r lower than 1, the results of the two approaches were satisfactory. On the other hand, for r>1, the difference between the results became increasingly significant. In mixed convection mode (Fr{approx_equal}20), the results obtained by the two turbulence models for the mean axial velocity were very different even in the plume region. For the temperature and the turbulent sizes the two models give satisfactory results which agree well with the correlations suggested by the experimenters for X{>=}20. Thus, the second order model with {sigma}{sub t}=0.85 is more effective for a coaxial jet study in a mixed convection mode. (orig.)
Numerical Study of Concentration Characteristics of Linear Fresnel Reflector System
International Nuclear Information System (INIS)
Lee, Hyun Jin; Kim, Jong Kyu; Lee, Sang Nam
2015-01-01
In this study, we numerically investigated the concentration characteristics of a linear Fresnel reflector system that can drive a solar thermal absorption refrigeration system to be installed in Saudi Arabia. Using an optical modeling program based on the Monte Carlo ray-tracing method, we simulated the concentrated solar flux, concentration efficiency, and concentrated solar energy on four representative days of the year - the vernal equinox, summer solstice, autumnal equinox, and winter solstice. Except the winter solstice, the concentrations were approximately steady from 9 AM to 15 PM, and the concentration efficiencies exceed 70%. Moreover, the maximum solar flux around the solar receiver center changes only within the range of 13.0 - 14.6 kW/m 2 . When we investigated the effects of the receiver installation height, reflector width, and reflector gap, the optimal receiver installation height was found to be 5 m. A smaller reflector width had a greater concentration efficiency. However, the design of the reflector width should be based on the capacity of the refrigeration system because it dominantly affects the concentrated solar energy. The present study was an essential prerequisite for thermal analyses of the solar receiver. Thus, an optical-thermal integration study in the future will assist with the performance prediction and design of the entire system
Numerical Study of Concentration Characteristics of Linear Fresnel Reflector System
Energy Technology Data Exchange (ETDEWEB)
Lee, Hyun Jin [Kookmin Univ., Seoul (Korea, Republic of); Kim, Jong Kyu; Lee, Sang Nam [Korea Institute of Energy Research, Daejeon (Korea, Republic of)
2015-12-15
In this study, we numerically investigated the concentration characteristics of a linear Fresnel reflector system that can drive a solar thermal absorption refrigeration system to be installed in Saudi Arabia. Using an optical modeling program based on the Monte Carlo ray-tracing method, we simulated the concentrated solar flux, concentration efficiency, and concentrated solar energy on four representative days of the year - the vernal equinox, summer solstice, autumnal equinox, and winter solstice. Except the winter solstice, the concentrations were approximately steady from 9 AM to 15 PM, and the concentration efficiencies exceed 70%. Moreover, the maximum solar flux around the solar receiver center changes only within the range of 13.0 - 14.6 kW/m{sup 2}. When we investigated the effects of the receiver installation height, reflector width, and reflector gap, the optimal receiver installation height was found to be 5 m. A smaller reflector width had a greater concentration efficiency. However, the design of the reflector width should be based on the capacity of the refrigeration system because it dominantly affects the concentrated solar energy. The present study was an essential prerequisite for thermal analyses of the solar receiver. Thus, an optical-thermal integration study in the future will assist with the performance prediction and design of the entire system.
Assessing mental stress from the photoplethysmogram: a numerical study
Charlton, Peter H; Celka, Patrick; Farukh, Bushra; Chowienczyk, Phil; Alastruey, Jordi
2018-01-01
Abstract Objective: Mental stress is detrimental to cardiovascular health, being a risk factor for coronary heart disease and a trigger for cardiac events. However, it is not currently routinely assessed. The aim of this study was to identify features of the photoplethysmogram (PPG) pulse wave which are indicative of mental stress. Approach: A numerical model of pulse wave propagation was used to simulate blood pressure signals, from which simulated PPG pulse waves were estimated using a transfer function. Pulse waves were simulated at six levels of stress by changing the model input parameters both simultaneously and individually, in accordance with haemodynamic changes associated with stress. Thirty-two feature measurements were extracted from pulse waves at three measurement sites: the brachial, radial and temporal arteries. Features which changed significantly with stress were identified using the Mann–Kendall monotonic trend test. Main results: Seventeen features exhibited significant trends with stress in measurements from at least one site. Three features showed significant trends at all three sites: the time from pulse onset to peak, the time from the dicrotic notch to pulse end, and the pulse rate. More features showed significant trends at the radial artery (15) than the brachial (8) or temporal (7) arteries. Most features were influenced by multiple input parameters. Significance: The features identified in this study could be used to monitor stress in healthcare and consumer devices. Measurements at the radial artery may provide superior performance than the brachial or temporal arteries. In vivo studies are required to confirm these observations. PMID:29658894
Theoretical study of isomerization and decomposition of propenal
International Nuclear Information System (INIS)
Chin, Chih-Hao; Lee, Shih-Huang
2011-01-01
We investigated the dynamics of isomerization and multi-channel dissociation of propenal (CH 2 CHCHO), methyl ketene (CH 3 CHCO), hydroxyl propadiene (CH 2 CH 2 CHOH), and hydroxyl cyclopropene (cyclic-C 3 H 3 -OH) in the ground potential-energy surface using quantum-chemical calculations. Optimized structures and vibrational frequencies of molecular species were computed with method B3LYP/6-311G(d,p). Total energies of molecules at optimized structures were computed at the CCSD(T)/6-311+G(3df,2p) level of theory. We established the potential-energy surface for decomposition to CH 2 CHCO + H, CH 2 CH + HCO, CH 2 CH 2 /CH 3 CH + CO, CHCH/CH 2 C + H 2 CO, CHCCHO/CH 2 CCO + H 2 , CHCH + CO + H 2 , CH 3 + HCCO, CH 2 CCH + OH, and CH 2 CC/cyclic-C 3 H 2 + H 2 O. Microcanonical rate coefficients of various reactions of trans-propenal with internal energies 148 and 182 kcal mol -1 were calculated using Rice-Ramsperger-Kassel-Marcus and Variational transition state theories. Product branching ratios were derivable using numerical integration of kinetic master equations and the steady-state approximation. The concerted three-body dissociation of trans-propenal to fragments C 2 H 2 + CO + H 2 is the prevailing channel in present calculations. In contrast, C 3 H 3 O + H, C 2 H 3 + HCO and C 2 H 4 + CO were identified as major channels in the photolysis of trans-propenal. The discrepancy between calculations and experiments in product branching ratios indicates that the three major photodissociation channels occur mainly on an excited potential-energy surface whereas the other channels occur mainly on the ground potential-energy surface. This work provides profound insight in the mechanisms of isomerization and multichannel dissociation of the system C 3 H 4 O.
A theoretical study of problems in classical nova evolution
International Nuclear Information System (INIS)
Shankar, A.
1990-01-01
Three distinct issues in classical nova evolution are addressed with the aid of one- and two-dimensional numerical hydrodynamics. The effects of convection on nova outbursts are examined within the confines of the mixing length theory. It is found that increasing the efficiency of convection enhances the violence of the thermonuclear runaway (TNR). This also relates to the question of the feasibility of obtaining nova outbursts on magnetic white dwarfs among the AM Her systems. The effects of a strong magnetic field on the TNR are explored. The field interferes with the development of convection during the TNR, which results in lower ejection velocities. However, for field strengths typical of cataclysmic variables, the violence of strong outbursts is affected only moderately. The conditions necessary for the production of strong TNR's in the hibernation model of cataclysmic binary evolution are also examined. The feasibility of obtaining strong nova outbursts is investigated when the accretion rate during hibernation is decreased. It is found that a reduction (by a factor of 100) for periods of longer than a couple thousand years, is sufficient to ensure violent outbursts, even in the presence of large pre-outburst accretion rates. The effects of a common envelope phase (CEP) on the outburst are discussed. The motion of the secondary through an expanding common envelope is resisted by frictional drag. This dissipates both energy and angular momentum from the orbit inducing hydrodynamic motion. Significant departures are found to occur in the manner in which mass is lost when the effects of drag are taken into account. Specifically, a CEP is found to accelerate and enhance mass loss. Ejection is found to be concentrated in the orbital plane, with velocities of a few thousand km/sec
Numerical Study on the 1682 Tainan Historic Tsunami Event
Tsai, Y.; Wu, T.; Lee, C.; KO, L.; Chuang, M.
2013-12-01
We intend to reconstruct the tsunami source of the 1682/1782 tsunami event in Tainan, Taiwan, based on the numerical method. According to Soloviev and Go (1974), a strong earthquake shook the Tainan and caused severe damage, followed by tsunami waves. Almost the whole island was flooded by tsunami for over 120 km. More than 40,000 inhabitants were killed. Forts Zealand and Pigchingi were washed away. 1682/1782 event was the highest death toll in the Pacific Ocean regarded by Bryant (2001). However, the year is ambiguous in 1682 or 1782, and death toll is doubtful. We tend to believe that this event was happened in 1682 based on the evolution of the harbor name. If the 1682 tsunami event does exist, the hazard mitigation plan has to be modified, and restoring the 1682 event becomes important. In this study, we adopted the tsunami reverse tracking method (TRTM) to examine the possible tsunami sources. A series of numerical simulations were carried out by using COMCOT (Cornell Multi-grid Coupled Tsunami model), and nested grid with 30 m resolution was applied to the study area. According to the result of TRTM, the 1682 tsunami is most likely sourcing from the north segment of Manila Trench. From scenario study, we concluded that the 1682 event was triggered by an Mw >= 8.8 earthquake in north segment of Manila Trench, and 4 m wave height was observed in Tainan and its inundation range is agreeable with historical records. If this scenario occurred again, sever damage and death toll will be seen many high population cities, such as Tainan city, Kaohsiung city and Kenting, where No. 3 nuclear power plant is located. Detailed results will be presented in the full paper. Figure 1. Map of Tsunami Reverse Tracking Method (TRTM) in Tainan. Black arrow indicates direction of possible tsunami direction. The color bar denotes the magnitude of the maximum moment flux. Figure 2. Scenario result of Mw 8.8 in northern segment of Manila Trench. (Left: Initial free surface elevation
Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications
Ma, Q.
2015-12-01
The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS and IOS models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and
Theoretical and computational studies of excitons in conjugated polymers
Barford, William; Bursill, Robert J.; Smith, Richard W.
2002-09-01
We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tight-binding model of π-conjugated electrons, with 1/r interactions for large r. In both the weak-coupling limit (defined by W>>U) and the strong-coupling limit (defined by Wparticle models. We compare these to density matrix renormalization group (DMRG) calculations, and find good agreement in the extreme limits. We use these analytical results to interpret the DMRG calculations in the intermediate-coupling regime (defined by W~U), most applicable to conjugated polymers. We make the following conclusions. (1) In the weak-coupling limit the bound states are Mott-Wannier excitons, i.e., conduction-band electrons bound to valence-band holes. Singlet and triplet excitons whose relative wave functions are odd under a reflection of the relative coordinate are degenerate. Thus, the 2 1A+g and 1 3A-g states are degenerate in this limit. (2) In the strong-coupling limit the bound states are Mott-Hubbard excitons, i.e., particles in the upper Hubbard band bound to holes in the lower Hubbard band. These bound states occur in doublets of even and odd parity excitons. Triplet excitons are magnons bound to the singlet excitons, and hence are degenerate with their singlet counterparts. (3) In the intermediate-coupling regime Mott-Wannier excitons are the more appropriate description for large dimerization, while for the undimerized chain Mott-Hubbard excitons are the correct description. For dimerizations relevant to polyacetylene and polydiacetylene both Mott-Hubbard and Mott-Wannier excitons are present. (4) For all coupling strengths an infinite number of bound states exist for 1/r interactions for an infinite polymer. As a result of the discreteness of the lattice and the restrictions on the exciton wave functions in one dimension, the progression of states does not follow the Rydberg series. In practice, excitons whose particle-hole separation exceeds the length of the polymer
Numerical and experimental study of a hydrodynamic cavitation tube
Hu, H.; Finch, J. A.; Zhou, Z.; Xu, Z.
1998-08-01
A numerical analysis of hydrodynamics in a cavitation tube used for activating fine particle flotation is described. Using numerical procedures developed for solving the turbulent k-ɛ model with boundary fitted coordinates, the stream function, vorticity, velocity, and pressure distributions in a cavitation tube were calculated. The calculated pressure distribution was found to be in excellent agreement with experimental results. The requirement of a pressure drop below approximately 10 m water for cavitation to occur was observed experimentally and confirmed by the model. The use of the numerical procedures for cavitation tube design is discussed briefly.
Nanoparticles in dilute solution : A numerical study of rotational diffusion
Energy Technology Data Exchange (ETDEWEB)
Evensen, Tom Richard
2008-06-15
This thesis is dedicated to Brownian dynamics simulations of rotational diffusion. A rotation dynamics engine has been implemented and tested. This engine will in the future be integrated as a part of a complete Brownian dynamics simulation tool. The special case, when translational motion can be ignored, has thoroughly been studied. Two choices of generalized coordinates describing angular orientation of the particles are used. The Euler angles, which constitute the classical choice, and the Cartesian components of the rotation vector, which was recently introduced as an alternative, are being compared with regards to computational efficiency. Results from both equilibrium and non-equilibrium simulations are presented. The consistency of two new algorithms is demonstrated on systems of free rigid particles with arbitrary surface topographies. The algorithms make use of only the principal values of the rotational mobility tensor, assuming the corresponding principal axes coincide with the body-fixed coordinate system. These three scalars contain all information about the particle surface topography relevant for rotational diffusion. The calculation of the mobility tensor can be performed in a pre-calculation step, which makes the algorithm itself highly efficient. Both choices of generalized coordinates correctly reproduce theoretical predictions, but we have found that the algorithm using the Cartesian components of the rotation vector as generalized coordinates outperform its counterpart using the Euler angles by up to a factor 1000 in extreme cases. The reason for this improvement is that the algorithm using the Cartesian components of the rotation vector is free of singularities. (Author). refs. figs
Experimental and numerical studies of micro PEM fuel cell
Peng, Rong-Gui; Chung, Chen-Chung; Chen, Chiun-Hsun
2011-10-01
A single micro proton exchange membrane fuel cell (PEMFC) has been produced using Micro-electromechanical systems (MEMS) technology with the active area of 2.5 cm2 and channel depth of about 500 µm. A theoretical analysis is performed in this study for a novel MEMS-based design of amicro PEMFC. Themodel consists of the conservation equations of mass, momentum, species and electric current in a fully integrated finite-volume solver using the CFD-ACE+ commercial code. The polarization curves of simulation are well correlated with experimental data. Three-dimensional simulations are carried out to treat prediction and analysis of micro PEMFC temperature, current density and water distributions in two different fuel flow rates (15 cm3/min and 40 cm3/min). Simulation results show that temperature distribution within the micro PEMFC is affected by water distribution in the membrane and indicate that low and uniform temperature distribution in the membrane at low fuel flow rates leads to increased membrane water distribution and obtains superior micro PEMFC current density distribution under 0.4V operating voltage. Model predictions are well within those known for experimental mechanism phenomena.
Experimental and numerical studies in a vortex tube
International Nuclear Information System (INIS)
Sohn, Chang Hyun; Kim, Chang Soo; Gowda, B. H. L Lakshmana; Jung, Ui Hyun
2006-01-01
The present investigation deals with the study of the internal flow phenomena of the counter-flow type vortex tube using experimental testing and numerical simulation. Visualization was carried out using the surface tracing method, injecting dye on the vortex tube wall using a needle. Vortex tube is made of acrylic to visualize the surface particle tracing and the input air pressure was varied from 0.1 MPa to 0.3 MPa. The experimentally visualized results on the tube show that there is an apparent sudden changing of the trajectory on the vortex tube wall which was observed in every experimental test case. This may indicate the stagnation position of the vortex flow. The visualized stagnation position moves towards the vortex generator with increase in cold flow ratio and input pressure. Three-dimensional computational study is also conducted to obtain more detailed flow information in the vortex tube. Calculated total pressure, static pressure and total temperature distributions in the vortex tube were in good agreement with the experimental data. The computational particle trace on the vortex tube wall is very similar to that observed in experiments
Numerical study of the stopping of aura during migraine
Directory of Open Access Journals (Sweden)
Moussa A.
2010-12-01
Full Text Available This work is devoted to the study of migraine with aura in the human brain. Following [6], we class migraine as a propagation of a wave of depolarization through the cells. The mathematical model used, based on a reaction-diffusion equation, is briefly presented. The equation is considered in a duct containing a bend, in order to model one of the numerous circumvolutions of the brain. For a wide set of parameters, one can establish the existence of a critical radius below which the wave stops. The approximation scheme used for the simulations is first described and then a numerical study is realized, precising the dependence of the critical radius with respect to the different parameters of the model. Ce travail est consacré à l’étude de l’évolution d’une migraine avec aura dans le cerveau humain. Suivant [6], nous assimilons la migraine à une onde de dépolarisation attaquant les cellules du cerveau. Le modèle mathématique retenu, basé sur une équation de réaction-diffusion, est brièvement rappelé. Le domaine d’espace utilisé est constitué d’un conduit présentant un coude, afin de représenter l’une des nombreuses circonvolutions cérébrales. Pour une importante classe de paramètres, il est possible de mettre en évidence l’existence d’un rayon critique au delà duquel le front d’onde n’arrive pas à dépasser le coude. Après une description du schéma d’approximation utilisé, une étude numérique a été réalisée, visant à préciser la dépendance du rayon critique en fonction des différents paramètres du modèle.
Complexities in coastal sediment transport studies by numerical modelling
Digital Repository Service at National Institute of Oceanography (India)
Ilangovan, D.; ManiMurali, R.
equations arrived based on scientific principles as all natural phenomena are governed by certain rules which can be explained by scientific principles. Efficiency of numerical modeling greatly depends on quality of input parameters. When input parameters...
A Correlational Study of Students' Theoretical and Practical
African Journals Online (AJOL)
Galadanci & Mukhtar
Science World Journal Vol 12(No 2) 2017 ... Scores in Computer Applications Courses in Bayero University Kano. A CORRELATIONAL STUDY OF STUDENTS ... Physics, Chemistry and Biology, where the course of study has a substantial ...
Case studies in the numerical solution of oscillatory integrals
International Nuclear Information System (INIS)
Adam, G.
1992-06-01
A numerical solution of a number of 53,249 test integrals belonging to nine parametric classes was attempted by two computer codes: EAQWOM (Adam and Nobile, IMA Journ. Numer. Anal. (1991) 11, 271-296) and DO1ANF (Mark 13, 1988) from the NAG library software. For the considered test integrals, EAQWOM was found to be superior to DO1ANF as it concerns robustness, reliability, and friendly user information in case of failure. (author). 9 refs, 3 tabs
Theoretical study for ICRF sustained LHD type p-11B reactor
International Nuclear Information System (INIS)
Watanabe, Tsuguhiro
2003-04-01
This is a summary of the workshop on 'Theoretical Study for ICRF Sustained LHD Type p- 11 B Reactor' held in National Institute for Fusion Science (NIFS) on July 25, 2002. In the workshop, study of LHD type D- 3 He reactor is also reported. A review concerning the advanced nuclear fusion fuels is also attached. This review was reported at the workshop of last year. The development of the p- 11 B reactor research which uses the LHD magnetic field configuration has been briefly summarized in section 1. In section 2, an integrated report on advanced nuclear fusion fuels is given. Ignition conditions in a D- 3 He helical reactor are summarized in section 3. 0-dimensional particle and power balance equations are solved numerically assuming the ISS95 confinement law including a confinement factor (γ HH ). It is shown that high average beta plasma confinement, a large confinement factor (γ HH > 3) and the hot ion mode (T i /T e > 1.4) are necessary to achieve the ignition of the D- 3 He helical reactor. Characteristics of ICRF sustained p- 11 B reactor are analyzed in section 4. The nuclear fusion reaction rate is derived assuming a quasilinear plateau distribution function (QPDF) for protons, and an ignition condition of p- 11 B reactor is shown to be possible. The 3 of the presented papers are indexed individually. (J.P.N.)
Numerical study of free pulsed jet flow with variable density
Energy Technology Data Exchange (ETDEWEB)
Kriaa, Wassim [Laboratoire de Mecanique des Fluides et Thermique, Ecole Nationale d' Ingenieurs de Monastir, Route de Ouardanine, 5000 Monastir (Tunisia)], E-mail: kriaawass@yahoo.fr; Cheikh, Habib Ben; Mhiri, Hatem [Laboratoire de Mecanique des Fluides et Thermique, Ecole Nationale d' Ingenieurs de Monastir, Route de Ouardanine, 5000 Monastir (Tunisia); Le Palec, Georges; Bournot, Philippe [Institut de Mecanique de Marseille, 60 rue Juliot Curie Technopole de Chateau-Gombert 13453, Marseille Cedex 13 (France)
2008-05-15
In this work, we propose a numerical study of a free pulsed plane jet with variable density in unsteady and laminar modes. At the nozzle exit, the flow is characterized by a uniform temperature and submitted to a longitudinal and periodic velocity disturbance: u = u{sub 0}(1 + A sin({omega}t)). A finite difference method is performed to solve the equations governing this flow type. The discussion relates to the effect of the most significant parameters, such as the pulsation frequency and amplitude, on the flow characteristic fields. The effects of Reynolds and Galileo numbers was also examined. The results show that the pulsation affects the flow in the vicinity of the nozzle, and further, the results of the unsteady mode join those of the steady non-pulsed jet. The results state also that the Strouhal number has no influence on the flow mixture degree, whereas the amplitude of pulsation affects, in a remarkable way, the mixture and, consequently, the concentration core length.
Monte Carlo numerical study of lattice field theories
International Nuclear Information System (INIS)
Gan Cheekwan; Kim Seyong; Ohta, Shigemi
1997-01-01
The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)
A Numerical and Experimental Study of Local Exhaust Capture Efficiency
DEFF Research Database (Denmark)
Madsen, U.; Breum, N. O.; Nielsen, Peter Vilhelm
1993-01-01
Direct capture efficiency of a local exhaust system is defined by introducing an imaginary control box surrounding the contaminant source and the exhaust opening. The imaginary box makes it possible to distinguish between contaminants directly captured and those that escape. Two methods for estim...... location is less important for the case studied. The choice of sampling strategy to obtain a representative background concentration is essential as substantial differences on direct capture efficiency are found. Recommendations are given......Direct capture efficiency of a local exhaust system is defined by introducing an imaginary control box surrounding the contaminant source and the exhaust opening. The imaginary box makes it possible to distinguish between contaminants directly captured and those that escape. Two methods...... for estimation of direct capture efficiency are given: (1) a numerical method based on the time-averaged Navier-Stokes equations for turbulent flows; and (2) a field method based on a representative background concentration. Direct capture efficiency is sensitive to the size of the control box, whereas its...
Basic study on the rectangular numeric keys for touch screen.
Harada, H; Katsuura, T; Kikuchi, Y
1997-06-01
The present study was conducted to examine the optimum inter-key spacing of numeric rectangular keys for touch screens. Six male students (22-25 years old) and three female students (21-24 years old) participated in the experiment. Each subject performed the data entry task using rectangular keys of touch devices. These keys were arranged in both horizontal and vertical layouts. The sizes of the rectangular keys in both layouts were 12 x 21 mm and 15 x 39 mm, and each of the inter-key spacing of each key was 0, 3, 6, 12 and 21 mm. The response time with inter-key spacing of 3 mm was significantly faster than with the inter-key spacing of 0, 12 and 21 mm (p < 0.05). Keys of vertical position produced faster response time than that of horizontal position. The subjective ratings showed that the inter-key spacing of 6 mm was significantly better than the inter-key spacing of 0, 3, 12 and 21 mm (p < 0.05).
Numerical study of optimal equilibrium cycles for pressurized water reactors
International Nuclear Information System (INIS)
Mahlers, Y.P.
2003-01-01
An algorithm based on simulated annealing and successive linear programming is applied to solve equilibrium cycle optimization problems for pressurized water reactors. In these problems, the core reload scheme is represented by discrete variables, while the cycle length as well as uranium enrichment and loading of burnable poison in each feed fuel assembly are treated as continuous variables. The enrichments are considered to be distinct in all feed fuel assemblies. The number of batches and their sizes are not fixed and also determined by the algorithm. An important feature of the algorithm is that all the parameters are determined by the solution of one optimization problem including both discrete and continuous variables. To search for the best reload scheme, simulated annealing is used. The optimum cycle length as well as uranium enrichment and loading of burnable poison in each feed fuel assembly are determined for each reload pattern examined using successive linear programming. Numerical results of equilibrium cycle optimization for various values of the effective price of electricity and fuel reprocessing cost are studied
Numerical and experimental study of bistable plates for morphing structures
Nicassio, F.; Scarselli, G.; Avanzini, G.; Del Core, G.
2017-04-01
This study is concerned with the activation energy threshold of bistable composite plates in order to tailor a bistable system for specific aeronautical applications. The aim is to explore potential configurations of the bistable plates and their dynamic behavior for designing novel morphing structure suitable for aerodynamic surfaces and, as a possible further application, for power harvesters. Bistable laminates have two stable mechanical shapes that can withstand aerodynamic loads without additional constraint forces or locking mechanisms. This kind of structures, when properly loaded, snap-through from one stable configuration to another, causing large strains that can also be used for power harvesting scopes. The transition between the stable states of the composite laminate can be triggered, in principle, simply by aerodynamic loads (pilot, disturbance or passive inputs) without the need of servo-activated control systems. Both numerical simulations based on Finite Element models and experimental testing based on different activating forcing spectra are used to validate this concept. The results show that dynamic activation of bistable plates depend on different parameters that need to be carefully managed for their use as aircraft passive wing flaps.
Numerical study of flame structure in the mild combustion regime
Directory of Open Access Journals (Sweden)
Mardani Amir
2015-01-01
Full Text Available In this paper, turbulent non-premixed CH4+H2 jet flame issuing into a hot and diluted co-flow air is studied numerically. This flame is under condition of the moderate or intense low-oxygen dilution (MILD combustion regime and related to published experimental data. The modelling is carried out using the EDC model to describe turbulence-chemistry interaction. The DRM-22 reduced mechanism and the GRI2.11 full mechanism are used to represent the chemical reactions of H2/methane jet flame. The flame structure for various O2 levels and jet Reynolds numbers are investigated. The results show that the flame entrainment increases by a decrease in O2 concentration at air side or jet Reynolds number. Local extinction is seen in the upstream and close to the fuel injection nozzle at the shear layer. It leads to the higher flame entertainment in MILD regime. The turbulence kinetic energy decay at centre line of jet decreases by an increase in O2 concentration at hot Co-flow. Also, increase in jet Reynolds or O2 level increases the mixing rate and rate of reactions.
Heavy leptons: theoretical study of the implications of their existence
International Nuclear Information System (INIS)
Ragiadakos, C.
1978-01-01
The following points are studied: the possibility of an internal structure of heavy leptons and its manifestation; a study of the production of neutral heavy leptons in e + -e - collisions; consequences of the lumaton (heavy lepton having strong interactions) hypothesis; the introduction of a muon number violating mechanism in gauge theories. A gauge model characterized by the symmetries: left-right and quarks-leptons is also studied. A general review of the heavy leptons is given [fr
Theoretical studies of Elmo Bumpy Torus. Annual report
International Nuclear Information System (INIS)
1984-01-01
The work was divided into four basic areas. Studies of the effect of waves on stability and transport considered the possibility of using radio frequency waves to stabilize interchange modes, as well as the general problem of influencing plasma transport by wave absorption. Studies related to wave heating of plasmas considered nonlinear effects such as mode conversion and parametric absorption, along with studies of the structure of ion cyclotron waves in a strongly bumpy geometry. Ring physics studies added nonadiabaticity and whistler instabilities to the model, producing a fairly realistic picture of energy balance, power requirements, and scaling for hot electron rings. Finally, studies analyzing EBT transport data were performed, with emphasis on testing various hypotheses for apparent anomalies in the EBT
Freezing of bentonite. Experimental studies and theoretical considerations
Energy Technology Data Exchange (ETDEWEB)
Birgersson, Martin; Karnland, Ola; Nilsson, Ulf (Clay Technology AB, Lund (Sweden))
2010-01-15
During its lifetime, a KBS-3 repository will be subject to various ambient temperatures. Backfilled tunnels, shafts and investigation bore holes closest to ground level will experience periods of temperature below 0 deg C. From a safety assessment perspective, it is therefore essential to understand the behavior of compacted bentonite below 0 deg C. A theoretical framework for predicting the pressure response in compacted water saturated bentonite due to temperature changes has been developed based on thermodynamics and a single pore-type. This model predicts an approximately linear temperature dependence of swelling pressure P{sub s}(w,DELTAT) = P{sub s}(w,0 deg C) + DELTAs(w)DELTAT/nu{sub clay}(w) where DELTAT denotes a temperature difference from 0 deg C, DELTAs(w) is the difference in partial molar entropy between clay water and bulk water, nu{sub clay} (w) is the partial molar volume of the clay water and w denotes the water/solid mass ratio of the clay. As bulk water changes phase at 0 deg C, DELTAs(w) has a different value dependent on whether DELTAT is negative or positive. Above 0 deg C DELTAs(w) is a small value for all relevant densities which means that the pressure response due to temperature changes is small. A further consequence of this fact is that DELTAs(w) is a large positive number below 0 deg C when the external water phase is transformed to ice. Consequently, the model predicts a large drop of swelling pressure with temperature below 0 deg C, in the order of 1.2 MPa/deg C. Specifically, the swelling pressure is zero at a certain (negative) temperature T{sub C}. T{sub C} also quantifies the freezing point of the bentonite sample under consideration, as ice formation in the bentonite does not occur until swelling pressure is lost. A large set of laboratory tests have been performed where fully water saturated samples of bentonites have been exposed to temperatures in the range -10 deg C to +25 deg C. The swelling pressure response has been
Drag Reduction by Riblets & Sharkskin Denticles: A Numerical Study
Boomsma, Aaron
Riblet films are a passive method of turbulent boundary layer control that can reduce viscous drag. They have been studied with great detail for over 30 years. Although common riblet applications include flows with Adverse Pressure Gradients (APG), nearly all research thus far has been performed in channel flows. Recent research has provided motivation to study riblets in more complicated turbulent flows with claims that riblet drag reduction can double in mild APG common to airfoils at moderate angles of attack. Therefore, in this study, we compare drag reduction by scalloped riblet films between riblets in a zero pressure gradient and those in a mild APG using high-resolution large eddy simulations. In order to gain a fundamental understanding of the relationship between drag reduction and pressure gradient, we simulated several different riblet sizes that encompassed a broad range of s + (riblet width in wall units), similarly to many experimental studies. We found that there was only a slight improvement in drag reduction for riblets in the mild APG. We also observed that peak values of streamwise turbulence intensity, turbulent kinetic energy, and streamwise vorticity scale with riblet width. Primary Reynolds shear stresses and turbulence kinetic energy production however scale with the ability of the riblet to reduce skin-friction. Another turbulent roughness of similar shape and size to riblets is sharkskin. The hydrodynamic function of sharkskin has been under investigation for the past 30 years. Current literature conflicts on whether sharkskin is able to reduce skin friction similarly to riblets. To contribute insights toward reconciling these conflicting views, Direct Numerical Simulations (DNS) are carried out to obtain detailed flow fields around realistic denticles. A sharp interface immersed boundary method is employed to simulate two arrangements of actual sharkskin denticles (from Isurus oxyrinchus) in a turbulent boundary layer at Retau ≈ 180
Theoretical and Experimental Studies of Magneto-Rayleigh-Taylor Instabilities
International Nuclear Information System (INIS)
Lau, Yue Ying; Gilgenbach, Ronald
2013-01-01
Magneto-Rayleigh-Taylor instability (MRT) is important to magnetized target fusion, wire-array z-pinches, and equation-of-state studies using flyer plates or isentropic compression. It is also important to the study of the crab nebula. The investigators performed MRT experiments on thin foils, driven by the mega-ampere linear transformer driver (LTD) facility completed in their laboratory. This is the first 1-MA LTD in the USA. Initial experiments on the seeding of MRT were performed. Also completed was an analytic study of MRT for a finite plasma slab with arbitrary magnetic fields tangential to the interfaces. The effects of magnetic shear and feedthrough were analyzed
Theoretical and Experimental Studies of Magneto-Rayleigh-Taylor Instabilities
Energy Technology Data Exchange (ETDEWEB)
Lau, Yue Ying [University of Michigan, Ann Arbor, MI (United States); Gilgenbach, Ronald [University of Michigan, Ann Arbor, MI (United States)
2013-07-07
Magneto-Rayleigh-Taylor instability (MRT) is important to magnetized target fusion, wire-array z-pinches, and equation-of-state studies using flyer plates or isentropic compression. It is also important to the study of the crab nebula. The investigators performed MRT experiments on thin foils, driven by the mega-ampere linear transformer driver (LTD) facility completed in their laboratory. This is the first 1-MA LTD in the USA. Initial experiments on the seeding of MRT were performed. Also completed was an analytic study of MRT for a finite plasma slab with arbitrary magnetic fields tangential to the interfaces. The effects of magnetic shear and feedthrough were analyzed.
Theoretical study of the mechanism of proton transfer in tautomeric ...
Indian Academy of Sciences (India)
Semiempirical SCF-MO studies of tautomerism in alloxan preclude the ... However, in aqueous solution, the activation barrier reduces appreciably, not ... which stabilize the transition state to a greater extent due to its higher dipole moment.
A combined electrochemical and theoretical study of pyridine-based ...
Indian Academy of Sciences (India)
PARUL DOHARE
2018-02-01
Feb 1, 2018 ... diamine (DAP-3) were synthesized, characterized, and their corrosion inhibition performance was studied on ... inhibition efficiencies of various organic compounds on ...... 5 alkyl 1,3,4 thiadiazole compounds on the corrosion ...
Czech Academy of Sciences Publication Activity Database
Čurík, Roman; Paidarová, Ivana; Allan, M.; Čársky, Petr
2014-01-01
Roč. 118, č. 41 (2014), s. 9734-9744 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0452; GA MŠk LD14088 Institutional support: RVO:61388955 Keywords : diacetylenes * electron collision * theoretical study Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.693, year: 2014
Experimental and theoretical study of heterogeneous iron precipitation in silicon
Haarahiltunen, Antti; Väinölä, Hele; Anttila, O.; Yli-Koski, Marko
2007-01-01
Heterogeneous iron precipitation in silicon was studied experimentally by measuring the gettering efficiency of oxide precipitate density of 1×10exp10cm−3. The wafers were contaminated with varying iron concentrations, and the gettering efficiency was studied using isothermal annealing in the temperature range from 300 to 780°C. It was found that iron precipitation obeys the so called s-curve behavior: if iron precipitation occurs, nearly all iron is gettered. For example, after 30 min anneal...
Numerical study of a water distillation system using solar energy
International Nuclear Information System (INIS)
Zarzoum, K.; Zhani, K.; Bacha, H. Ben
2016-01-01
This paper tackles an optimization approach in order to boost the fresh water production of a new design of a solar still which is located at Sfax engineering national school in Tunisia. This optimization approach is based upon the above mentioned design's improvement by coupling the conventional solar still into at a condenser, solar air and water collector and humidifier. This new concept of a distiller solar still using humidification- dehumidification processes (HD) is exploited for the desalination purpose. As a result of this work, the humidification- dehumidification processes have an essential effect in improving the solar still performance. Performance has been predicted theoretically in terms of water and inner glass cover temperatures, the inlet temperature of air and water of the new concept of distiller on water condensation rate and fresh water production. A general model based on heat and mass transfers in each component of the unit has been developed in steady dynamic regime. The developed model is used, simulating the HD system, to investigate the influence of the meteorological and operating parameters on the system productivity. The obtained set of ordinary differential equations has been converted to a set of algebraic system of equations by the functional approximation method of orthogonal collocation. The developed model is used to simulate the HD system in order to investigate the steady state behavior of each component of the unit and the entire system exposed to a variation of the entrance parameters and meteorological conditions. The obtained results were compared with those of other studies and the comparison gives a good validity of the present results
Numerical study of a water distillation system using solar energy
Energy Technology Data Exchange (ETDEWEB)
Zarzoum, K.; Zhani, K. [Sfax University, (Turkey); Bacha, H. Ben [Prince Sattam Bin Abdulaziz University, Alkharj (Saudi Arabia)
2016-02-15
This paper tackles an optimization approach in order to boost the fresh water production of a new design of a solar still which is located at Sfax engineering national school in Tunisia. This optimization approach is based upon the above mentioned design's improvement by coupling the conventional solar still into at a condenser, solar air and water collector and humidifier. This new concept of a distiller solar still using humidification- dehumidification processes (HD) is exploited for the desalination purpose. As a result of this work, the humidification- dehumidification processes have an essential effect in improving the solar still performance. Performance has been predicted theoretically in terms of water and inner glass cover temperatures, the inlet temperature of air and water of the new concept of distiller on water condensation rate and fresh water production. A general model based on heat and mass transfers in each component of the unit has been developed in steady dynamic regime. The developed model is used, simulating the HD system, to investigate the influence of the meteorological and operating parameters on the system productivity. The obtained set of ordinary differential equations has been converted to a set of algebraic system of equations by the functional approximation method of orthogonal collocation. The developed model is used to simulate the HD system in order to investigate the steady state behavior of each component of the unit and the entire system exposed to a variation of the entrance parameters and meteorological conditions. The obtained results were compared with those of other studies and the comparison gives a good validity of the present results.
Numerical study of circular synthetic jets at low Reynolds numbers
International Nuclear Information System (INIS)
Xia, Qingfeng; Lei, Shenghui; Ma, Jieyan; Zhong, Shan
2014-01-01
Highlights: • Parameter maps depicting different flow regimes of synthetic jets are produced. • Boundaries separating these regimes are defined using quantitative criteria. • The Reynolds number is most appropriate for classifying different flow regimes. • A use of high suction cycle factors enhances the effectiveness of synthetic jets. - Abstract: In this paper, the flow patterns of circular synthetic jets issuing into a quiescent flow at low Reynolds numbers are studied numerically. The results confirm the presence of the three jet flow regimes, i.e. no jet formation, jet flow without rollup and jet flow with rollup reported in the literature. The boundaries of the different jet flow regimes are determined by tracking the structures produced by the synthetic jets in the near field of the jet orifice over several actuation cycles and examining the cycle-averaged streamwise velocity profiles along the jet central axis. When the Stokes number is above a certain threshold value appropriate for the corresponding flow regime, a good correlation between the flow patterns and the jet Reynolds number defined using the jet orifice diameter, Re Do , is also found. Furthermore, the flow structures of synthetic jets with different suction duty cycle factors are compared. The use of a high suction duty cycle factor strengthens the synthetic jet resulting in a greater penetration depth into the surrounding fluid. Overall, the finding from this study enables the flow regimes, in which a synthetic jet actuator with a circular orifice operates, to be determined. It also provides a way of designing more effective synthetic jet actuators for enhancing mass and momentum transfer at very low Reynolds numbers
An analytical and numerical study of solar chimney use for room natural ventilation
Energy Technology Data Exchange (ETDEWEB)
Bassiouny, Ramadan; Koura, Nader S.A. [Department of Mechanical Power Engineering and Energy, Minia University, Minia 61111 (Egypt)
2008-07-01
The solar chimney concept used for improving room natural ventilation was analytically and numerically studied. The study considered some geometrical parameters such as chimney inlet size and width, which are believed to have a significant effect on space ventilation. The numerical analysis was intended to predict the flow pattern in the room as well as in the chimney. This would help optimizing design parameters. The results were compared with available published experimental and theoretical data. There was an acceptable trend match between the present analytical results and the published data for the room air change per hour, ACH. Further, it was noticed that the chimney width has a more significant effect on ACH compared to the chimney inlet size. The results showed that the absorber average temperature could be correlated to the intensity as: (T{sub w} = 3.51I{sup 0.461}) with an accepted range of approximation error. In addition the average air exit velocity was found to vary with the intensity as ({nu}{sub ex} = 0.013I{sup 0.4}). (author)
Experimental and Theoretical Studies in Hydrogen-Bonding Organocatalysis
Directory of Open Access Journals (Sweden)
Matej Žabka
2015-08-01
Full Text Available Chiral thioureas and squaramides are among the most prominent hydrogen-bond bifunctional organocatalysts now extensively used for various transformations, including aldol, Michael, Mannich and Diels-Alder reactions. More importantly, the experimental and computational study of the mode of activation has begun to attract considerable attention. Various experimental, spectroscopic and calculation methods are now frequently used, often as an integrated approach, to establish the reaction mechanism, the mode of activation or explain the stereochemical outcome of the reaction. This article comprises several case studies, sorted according to the method used in their study. The aim of this review is to give the investigators an overview of the methods currently utilized for mechanistic investigations in hydrogen-bonding organocatalysis.
A Theoretical Study of Subsurface Drainage Model Simulation of ...
African Journals Online (AJOL)
A three-dimensional variable-density groundwater flow model, the SEAWAT model, was used to assess the influence of subsurface drain spacing, evapotranspiration and irrigation water quality on salt concentration at the base of the root zone, leaching and drainage in salt affected irrigated land. The study was carried out ...
Theoretical Studies in Chemical Kinetics - Annual Report, 1970.
Karplus, Martin
1970-10-01
The research performed includes (a) Alkali-Halide, Alkali-Halide (MX, M?X?) Exchange Reactions; (b) Inversion Problem; (c) Quantum Mechanics of Scattering Processes, (d) Transition State Analysis of Classical Trajectories, (e) Differential Cross Sections from Classical Trajectories; and (f) Other Studies.
Platinum and palladium on carbon nanotubes : Experimental and theoretical studies
Adjizian, J. J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A. A.; Snyders, R.; Gengler, R. Y. N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C. P.
2013-01-01
Pristine and oxygen plasma functionalised carbon nanotubes (CNTs) were studied after the evaporation of Pt and Pd atoms. High resolution transmission electron microscopy shows the formation of metal nanoparticles at the CNT surface. Oxygen functional groups grafted by the plasma functionalization
Connecting theoretical and empirical studies of trait-mediated interactions
Czech Academy of Sciences Publication Activity Database
Bolker, B.; Holyoak, M.; Křivan, Vlastimil; Rowe, L.; Schmitz, O.
2003-01-01
Roč. 84, č. 5 (2003), s. 1101-1114 ISSN 0012-9658 Institutional research plan: CEZ:AV0Z5007907 Keywords : community models * competition * empirical study Subject RIV: EH - Ecology, Behaviour Impact factor: 3.701, year: 2003
Theoretical study of bone sialoprotein in bone biomineralization
CSIR Research Space (South Africa)
Yang, Y
2011-05-01
Full Text Available , highly conserved across several vertebrates, are the proposed active sites. We selected one of these sites, i.e. (Sp) 2 E 8 , where Sp represents a phosphoserine as a model peptide to study the role of BSP. We used molecular dynamics simulations...
Theoretical Study of Spin Crossover in 30 Iron Complexes
DEFF Research Database (Denmark)
Kepp, Kasper Planeta
2016-01-01
Spin crossover was studied in 30 iron complexes using density functional theory to quantify the direction and magnitude of dispersion, relativistic effects, zero-point energies, and vibrational entropy. Remarkably consistent entropy−enthalpy compensation was identified. Zero-point energies favor...
A theoretical parametric study of Water Flooding | Ohirhian | Journal ...
African Journals Online (AJOL)
A multidimensional mathematical model derived by combining equation of continuity and Darcy's law and solved using the strongly implicit procedure (SIP) has been used to study the effects of permeability distribution, shape of the relative permeability and capillary pressure curves, ratio of water to oil viscosity, and amount ...
THEORETICAL STUDY (AB INITIO AND DFT METHODS) ON ...
African Journals Online (AJOL)
ng reaction mechanisms that involve hydrogen atom transfer/proton-coupled. 5]. For these ... f theory have been extensively employed to the study of acidities and the compared with the .... evidence for the second deprotonation of XO. Also, as ...
Energy Technology Data Exchange (ETDEWEB)
Robicheaux, Francis
2013-03-29
Ever since Dirac predicted the existence of antimatter in 1928, it has excited our collective imagination. Seventy-four years later, two collaborations at CERN, ATHENA and ATRAP, created the first slow antihydrogen. This was a stunning achievement, but the most important antimatter experiments require trapped, not just slow, antihydrogen. The velocity, magnetic moment, and internal energy and state of the antihydrogen depend strongly on how it is formed. To trap antihydrogen, physicists face two broad challenges: (1) Understanding the behavior of the positron and antiprotons plasmas from which the antihydrogen is synthesized; and (2) Understanding the atomic processes by which positrons and antiprotons recombine. Recombination lies on the boundary between atomic and plasma physics, and cannot be studied properly without employing tools from both fields. The proposed collaborative research campaign will address both of these challenges. The collaboration members have unique experience in the relevant fields of experimental and theoretical non-neutral plasma physics, numerical modeling, nonlinear dynamics and atomic physics. This expertise is not found elsewhere amongst antihydrogen researchers. The collaboration members have strong ties already, and seek to formalize them with this proposal. Three of the four PIs are members of the ALPHA collaboration, an international collaboration formed by most of the principal members of the ATHENA collaboration.
Numerical study of emergency cryogenics gas relief into confined spaces
CERN. Geneva
2016-01-01
The presented work focuses on the risk analysis and the consequences of the unexpected leak to the tunnel of cryogenics gases. Formation of the gas mixture and its propagation along tunnels is an important issue for the safe operation of cryogenic machines, including superconducting accelerators or free electron lasers. As the cryogenics gas the helium and argon will be considered. A minimal numerical model will be presented and discussed. Series of numerical results related to emergency helium relief to the CERN tunnel and related to unexpected leak of the argon to an underground tunnel, will be shown. The numerical results will show temperature distribution, oxygen deficiency and gas cloud propagation in function of intensity of the leak and intensity of the ventilation.
Theoretical studies on rapid fluctuations in solar flares
International Nuclear Information System (INIS)
Vlahos, L.
1986-01-01
Rapid fluctuations in the emission of solar bursts may have many different origins, e.g., the acceleration process can have a pulsating structure, the propagation of energetic electrons and ions can be interrupted from plasma instabilities and finally the electromagnetic radiation produced by the interaction of electrostatic and electromagnetic waves may have a pulsating behavior in time. In two separate studies the conditions for rapid fluctuations in solar flare driven emission were analyzed
Theoretical studies on rapid fluctuations in solar flares
Vlahos, Loukas
1986-01-01
Rapid fluctuations in the emission of solar bursts may have many different origins e.g., the acceleration process can have a pulsating structure, the propagation of energetic electrons and ions can be interrupted from plasma instabilities and finally the electromagnetic radiation produced by the interaction of electrostatic and electromagnetic waves may have a pulsating behavior in time. In two separate studies the conditions for rapid fluctuations in solar flare driven emission were analyzed.
Theoretical study of adsorption of lithium atom on carbon nanotube
Senami, Masato; Ikeda, Yuji; Fukushima, Akinori; Tachibana, Akitomo
2011-01-01
We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsiv...
Biological and Theoretical Studies of Adaptive Networks: The Conditioned Response.
1992-06-30
suggest experimental tests and provide direction for physiological studies. 14 SU~la TIPO ~IS- NIJUMS Of PAGIS 17. @1d-ftA ITY CLASSIPtCATICON...mancte suditioned inhibition of the rabbit’s nictitating membrane response, CI tasks require the active suppression of CRs in the Bull . Psychon. Soc., 20... Bull ., 84 (1977) encephalon and mesencephalon26. 690-711. Several lines of evidence suggest that the septal and 8 Evans,J.A.C. and Thornton, E.W
Energy Technology Data Exchange (ETDEWEB)
Mhiri, H.; El Golli, S. [Ecole Nationale d`Ingenieurs, Monastir (Tunisia). Lab. d`Energetique; Berthon, A.; Le Palec, G.; Bournot, P. [Technopole de Chateau-Gombert, Marseille (France)
1998-10-01
Because of its numerous industrial applications (air conditioning, thermal insulation, behavior of fires), heat transfer in rectangular cavities has made the subject of many works which concern both theoretical numerical studies and experimental investigations. This work is devoted to a numerical approach of the laminar mixed convection in a cavity which one of the boundaries is materialized by a laminar vertical downstream air jet. The purpose is to analyze the interaction of this flow with the natural movement that grows in the cavity under the combined action of boundary thermal gradients and external medium of the cavity in order to examine thermal insulation qualities of the jet. Calculations have been made with the help of the finite volume method.
Dynamic behavior of hybrid sodium bearings. Theoretical and experimental studies
International Nuclear Information System (INIS)
Guidez, J.; Juignet, N.; Queval, M.
1981-08-01
The primary sodium pump shaft lower section of a fast breeder reactor is guided by a hydrostatic sodium bearing. This recess type bearing is supplied via orifices restrictors. Sodium is sampled at hight pressure at the diffuser outlet and is then centrifuged towards the orifices restrictors. Bearing stiffness and damping data is essential for the study of rotor dynamic behavior. Two points in particular may then be studied: - calculation of rotor instability ranges and critical speeds, - dynamic behavior of the rotor in the event of an earthquake. As regards the bearing design, the problem is to obtain the pressure fields in the liquid film. The integration of these pressure fields will then give the stiffness coefficients. The damping coefficients can then be obtained by the same calculation after slight displacement. The Reynolds equation can be used to study the liquid film (under any conditions for the turbulent and inertia effects). Then the computer code DELPAL is explained that solves the modified Reynolds equation using a finite element method. The presentation of tests conducted in 1981 on the Super-Phenix 1 full scall bearing (diameter 850 mm) in water is made. In conclusion this paper describes a method for calculating the stiffness and damping matrices of a hydrostatic bearing using the DELPAL calculation code and shows the loop of behavior tests on a bearing with sinusoidal excitation. The results, obtained by calculation and by testing, are indispensable when calculating the dynamic behavior of the shaft line
Combustion behaviour of pulverised wood - Numerical and experimental studies
Energy Technology Data Exchange (ETDEWEB)
Lixin Tao [TPS Termiska Processer AB, Nykoeping (Sweden)
2002-05-01
This report presents the experimental results achieved in an on-going project financed by STEM (Energimyndigheten) within the research program 'Gasification and combustion of solid fuels', during the first phase of the project (2001-03-05 to 2002-03-05). The project is a collaboration project between LTH and TPS on combined numerical modelling/experimental investigation on combustion of pulverised wood. Particularly TPS carry out the experimental investigation in a laboratory vertical furnace. During the project, the experimental rig has been developed. The experimental furnace has an inner diameter of 0.25 m and a height of 4 m. A pulverised wood flame is established using an axial burner that is installed on the top of the furnace. Experimental study on a selected pulverised wood with determined size distribution and anisotropy character has been carried out in this furnace. During the experiment, the wall temperatures of the furnace were continuously measured using 8 thermocouples of type K that are installed on the wall with a spacing about 0.5 m. The gas temperatures in the furnace were monitored using 5 fixed suction pyrometers that are placed along the centre of the furnace. At the bottom of the furnace, a fixed gas-sampling probe was installed. The flue gas concentrations were continuously monitored with on-line gas analysers. The extent of combustion was measured through the analysis of sampled gaseous products and condensable solid products. A movable liquid quench probe was used to carry out the gas and solid sampling through a number of sampling holes that are opened along the furnace wall. The quench liquor used is an alkaline water solution containing a small amount of a detergent to dissolve HCN and tar. The quench liquor and solid samples were separated and collected in a knockout pot. The gas was filtered and passed through two bubblers with acidic solution to collect NH{sub 3}. The gas concentrations were then analysed with on-line gas
A Numerical Study of Quantization-Based Integrators
Directory of Open Access Journals (Sweden)
Barros Fernando
2014-01-01
Full Text Available Adaptive step size solvers are nowadays considered fundamental to achieve efficient ODE integration. While, traditionally, ODE solvers have been designed based on discrete time machines, new approaches based on discrete event systems have been proposed. Quantization provides an efficient integration technique based on signal threshold crossing, leading to independent and modular solvers communicating through discrete events. These solvers can benefit from the large body of knowledge on discrete event simulation techniques, like parallelization, to obtain efficient numerical integration. In this paper we introduce new solvers based on quantization and adaptive sampling techniques. Preliminary numerical results comparing these solvers are presented.
Numerical study of interfacial flows with immersed solids
International Nuclear Information System (INIS)
Kim, Sung Il; Son, Gi Hun
2003-01-01
A numerical method is presented for computing unsteady incompressible two-phase flows with immersed solids. The method is based on a level set technique for capturing the phase interface, which is modified to satisfy a contact angle condition at the solid-fluid interface as well as to achieve mass conservation during the whole calculation procedure. The modified level set method is applied for numerical simulation of bubble deformation in a micro channel with a cylindrical solid block and liquid jet from a micro nozzle
Numerical study on drop formation through a micro nozzle
International Nuclear Information System (INIS)
Kim, Sung Il; Son, Gi Hun
2005-01-01
The drop ejection process from a micro nozzle is investigated by numerically solving the conservation equations for mass and momentum. The liquid-gas interface is tracked by a level set method which is extended for two-fluid flows with irregular solid boundaries. Based on the numerical results, the liquid jet breaking and droplet formation behavior is found to depend strongly on the pulse type of forcing pressure and the contact angle at the gas-liquid-solid interline. The negative pressure forcing can be used to control the formation of satelite droplets. Also, various nozzle shapes are tested to investigate their effect on droplet formation
Numerical heat transfer studies of PCMs used in a box-type solar cooker
Energy Technology Data Exchange (ETDEWEB)
Chen, C.R.; Sharma, Atul [Department of Mechanical Engineering, Kun Shan University, 949 Da-Wan Road, Yung-Kung City, Tainan Hsien 710 (China); Tyagi, S.K. [Department of Building Services Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (China); Buddhi, D. [Thermal Energy Storage Laboratory, School of Energy and Environmental Studies, Khandwa Road Campus, Devi Ahilya University, Indore 452017 (India)
2008-05-15
Theoretical investigations on the phase change materials (PCMs) used as the heat storage media for box-type solar cookers have been conducted in this study. The selected PCMs are magnesium nitrate hexahydrate, stearic acid, acetamide, acetanilide and erythritol. For a two-dimensional simulation model based on the enthalpy approach, calculations have been made for the melt fraction with conduction only. Different materials such as glass, stainless steel, tin, aluminum mixed, aluminum and copper are used as the heat exchanger container materials in the numerical calculations. The large value of thermal conductivity of heat exchanger container material did not make a significant contribution on the melt fraction except for at very low thermal conductivities. Based on the theoretical results, stearic acid and acetamide are found to be good compatibility with latent heat storage system. It is also found that the initial temperature of PCM does not have very important effects on the melting time, while the boundary wall temperature plays an important role during the melting and has a strong effect on the melt fraction. The results also show that the effect of thickness of container material on the melt fraction is insignificant. The results obtained in this paper show that in a box-type solar cooker, acetamide and stearic acid should be used as a latent heat storage materials. (author)
Numerical study of a confined slot impinging jet with nanofluids
Directory of Open Access Journals (Sweden)
Manca Oronzio
2011-01-01
Full Text Available Abstract Background Heat transfer enhancement technology concerns with the aim of developing more efficient systems to satisfy the increasing demands of many applications in the fields of automotive, aerospace, electronic and process industry. A solution for obtaining efficient cooling systems is represented by the use of confined or unconfined impinging jets. Moreover, the possibility of increasing the thermal performances of the working fluids can be taken into account, and the introduction of nanoparticles in a base fluid can be considered. Results In this article, a numerical investigation on confined impinging slot jet working with a mixture of water and Al2O3 nanoparticles is described. The flow is turbulent and a constant temperature is applied on the impinging. A single-phase model approach has been adopted. Different geometric ratios, particle volume concentrations and Reynolds number have been considered to study the behavior of the system in terms of average and local Nusselt number, convective heat transfer coefficient and required pumping power profiles, temperature fields and stream function contours. Conclusions The dimensionless stream function contours show that the intensity and size of the vortex structures depend on the confining effects, given by H/W ratio, Reynolds number and particle concentrations. Furthermore, for increasing concentrations, nanofluids realize increasing fluid bulk temperature, as a result of the elevated thermal conductivity of mixtures. The local Nusselt number profiles show the highest values at the stagnation point, and the lowest at the end of the heated plate. The average Nusselt number increases for increasing particle concentrations and Reynolds numbers; moreover, the highest values are observed for H/W = 10, and a maximum increase of 18% is detected at a concentration equal to 6%. The required pumping power as well as Reynolds number increases and particle concentrations grow, which is almost 4
Theoretical study of adsorption of lithium atom on carbon nanotube
Directory of Open Access Journals (Sweden)
Masato Senami
2011-12-01
Full Text Available We investigate the adsorption of lithium atoms on the surface of the (12,0 single wall carbon nanotube (SWCNT by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsive force between lithium atoms destabilizes a system for the large number of lithium atoms.
A theoretical study on free monopolar spacial change
International Nuclear Information System (INIS)
Camargo, P.C. de.
1975-01-01
Assuming planar symmetry and an arbitrary charge distribution that spreads through the sample, the one-carrier free-space-charge motion is studied in insulators solids. Using the method of characteristics we can reduce the problem to the resolution of a system of two ordinary first order differential equations. Results are applied to linear, exponential and S.C.L. current charge distributions, under short-circuit conditions. The charge distribution for several times and the discharge currents are presented. The results are compared with those from an approximated method, based on variational principles. (author) [pt
Role of hot electron transport in scintillators: A theoretical study
Energy Technology Data Exchange (ETDEWEB)
Huang, Huihui [SZU-NUS Collaborative Innovation Center for Optoelectronic Science and Technology, Key Lab. of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen Univ. (China); Li, Qi [Physical Sciences Division, IBM TJ Watson Research Center, Yorktown Heights, NY (United States); Department of Computer Science, University of Illinois at Urbana-Champaign, Urbana, IL (United States); Lu, Xinfu; Williams, R.T. [Department of Physics, Wake Forest University, Winston Salem, NC (United States); Qian, Yiyang [College of Engineering and Applied Science, Nanjing University (China); Wu, Yuntao [Scintillation Materials Research Center, University of Tennessee, Knoxville, TN (United States)
2016-10-15
Despite recent intensive study on scintillators, several fundamental questions on scintillator properties are still unknown. In this work, we use ab-initio calculations to determine the energy dependent group velocity of the hot electrons from the electronic structures of several typical scintillators. Based on the calculated group velocities and optical phonon frequencies, a Monte-Carlo simulation of hot electron transport in scintillators is carried out to calculate the thermalization time and diffusion range in selected scintillators. Our simulations provide physical insights on a recent trend of improved proportionality and light yield from mixed halide scintillators. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Experimental and theoretical study of cascade solar stills in Iran
International Nuclear Information System (INIS)
Tabrizi, F.F.; Sharak, A.Z.
2009-01-01
Due to low annual rainfall, most of Iran is dominated by arid and semi-arid areas. The solar radiation intensity is extremely high in most of the country. The need to produce fresh water from brackish water is considerably high, especially in dry regions. Desalination of brackish water may become a competitive potential water resource to meet potable water demand, and as the price of oil goes higher, using solar energy for water desalinisation becomes more economical. This paper presented a study that involved mathematical modeling of the first solar still in Iran. The cumulative fresh water production and water temperature were calculated as a function of time. The obtained results were verified by one month daily-based experimental data. The paper also provided background information on the Koshk village, situated in the south part of Iran near Badar Abbas city. Various investigations regarding meteorological conditions, economical considerations, and technical and operational appropriateness demonstrated that the cascade solar still is suitable for desalination of brackish water. 100 solar stills were installed at the site to provide potable water for a nearby village. It was concluded that the model could be used to simulate and optimize the effective design parameters in future studies. 6 refs., 7 figs
Hydroxyl radical induced transformation of phenylurea herbicides: A theoretical study
International Nuclear Information System (INIS)
Mile, Viktória; Harsányi, Ildikó; Kovács, Krisztina; Földes, Tamás; Takács, Erzsébet; Wojnárovits, László
2017-01-01
Aromatic ring hydroxylation reactions occurring during radiolysis of aqueous solutions are studied on the example of phenylurea herbicides by Density Functional Theory calculations. The effect of the aqueous media is taken into account by using the Solvation Model Based on Density model. Hydroxyl radical adds to the ring because the activation free energies (0.4–47.2 kJ mol −1 ) are low and also the Gibbs free energies have high negative values ((−27.4) to (−5.9) kJ mol −1 ). According to the calculations in most of cases the ortho- and para-addition is preferred in agreement with the experimental results. In these reactions hydroxycyclohexadienyl type radicals form. In a second type reaction, when loss of chlorine atom takes place, OH/Cl substitution occurs without cyclohexadienyl type intermediate. - Highlights: • Attack of • OH to aniline, phenol, fenuron, monuron, diuron was studied by DFT. • Ortho-para directing is suggested with –NH 2 , –OH and –NHCON(CH 3 ) 2 groups. • • OH addition to the ring gives hydroxycyclohexadienyl radical. • Attack at C-Cl leads to • OH/Cl substitution without cyclohexadienyl intermediate.
Singlet oxygen reactions with flavonoids. A theoretical-experimental study.
Morales, Javier; Günther, Germán; Zanocco, Antonio L; Lemp, Else
2012-01-01
Detection of singlet oxygen emission, λ(max) = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, k(T), and the reactive reaction rate constant, k(r), for the reaction between singlet oxygen and several flavonoids. Values of k(T) determined in deuterated water, ranging from 2.4×10(7) M(-1) s(-1) to 13.4×10(7) M(-1) s(-1), for rutin and morin, respectively, and the values measured for k(r), ranging from 2.8×10(5) M(-1) s(-1) to 65.7×10(5) M(-1) s(-1) for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid.
Singlet Oxygen Reactions with Flavonoids. A Theoretical – Experimental Study
Morales, Javier; Günther, Germán; Zanocco, Antonio L.; Lemp, Else
2012-01-01
Detection of singlet oxygen emission, λmax = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, kT, and the reactive reaction rate constant, kr, for the reaction between singlet oxygen and several flavonoids. Values of kT determined in deuterated water, ranging from 2.4×107 M−1s−1 to 13.4×107 M−1s−1, for rutin and morin, respectively, and the values measured for kr, ranging from 2.8×105 M−1s−1 to 65.7×105 M−1s−1 for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid. PMID:22802966
Singlet oxygen reactions with flavonoids. A theoretical-experimental study.
Directory of Open Access Journals (Sweden)
Javier Morales
Full Text Available Detection of singlet oxygen emission, λ(max = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, k(T, and the reactive reaction rate constant, k(r, for the reaction between singlet oxygen and several flavonoids. Values of k(T determined in deuterated water, ranging from 2.4×10(7 M(-1 s(-1 to 13.4×10(7 M(-1 s(-1, for rutin and morin, respectively, and the values measured for k(r, ranging from 2.8×10(5 M(-1 s(-1 to 65.7×10(5 M(-1 s(-1 for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid.
A Initio Theoretical Studies of Surfaces of Semiconductors
Wang, Jing
1993-01-01
The first semiconductor which we study with these techniques is the archetypal elemental semiconductor, silicon. We present the first extensive study of point defects on Si(100). We identify the principal defects and two primary mechanisms responsible for their dominance: the need to eliminate dangling bonds on the surface and the need to compensate the strain induced by topological effects. Furthermore, we present evidence that the presence of point defects on the Si(100) surface is not intrinsic to the ground state of the surface as a stress relieving mechanism but rather is due merely to thermal fluctuations. We address materials issues associated with the identification of the lowest energy surfaces of GaAs and the determination of the geometric structure of a GaAs crystallite growing freely in three dimensions. The fracture energies associated with (110), (100) and (111) interface planes are calculated and a Wulff construction indicates that an ideal stoichiometric GaAs crystal should be terminated with (110) surfaces. We investigate the more complex issues that arise on surfaces when aspects of these two semiconductors are mixed. We investigate the problem of growing GaAs on the Si(100) surface and demonstrate how and why the most fundamental properties of the resulting bulk GaAs material, such as its crystalline orientation, may depend sensitively on the interplay between growth conditions such as temperature and the properties of the Si surface. For stepped Si(100) -As, we show that the growth of As directly on top of the Si surface produces a metastable state, while the replacement of the original top Si layer leads to a lower energy configuration, with the rearrangement of the surface driven by the relaxation of stress by surface steps. Finally, we study delta -doping, where one attempts to grow a single layer of Si on a GaAs surface before continuing with the growth of bulk GaAs. We shall employ a slightly different modality of the ab initio approach. We
Theoretical study about L-arginine complexes formation with thiotriazolin
Directory of Open Access Journals (Sweden)
L. I. Kucherenko
2017-02-01
Full Text Available Brain vascular diseases are one of the leading causes of morbidity, mortality and disability of population in the industrialized countries of the world. An important element of this problem’s solution is the creation of new highly effective and safe drugs, which would lead to mortality reduction, to increase in life expectancy and quality of life. Therefore it is interesting to create a new combined drug based on L-arginine and thiotriazolin. Purpose of the study: to consider the possible structure and energy characteristics of complexes formed by L-arginine, 3-methyl-1,2,4-triazolyl-5-thioacetate (MTTA and morpholine. Calculation method. The initial approximation to the complex geometry was obtained using molecular docking with the help of AutoDock Vina program. The obtained ternary complexes were pre-optimized by semi-empirical PM7 method with modeling the impact of the environment by COSMO method. The calculations were carried out using MOPAC2012 program. Then they were optimized by B97-D3/SVP + COSMO (Water dispersion-corrected DFT-D with geometrical spreading correction on insufficiency of gCP basis set. A more accurate calculation of the solvation energy was conducted by SMD. The calculations by density functional method were carried out using the ORCA 3.0.3 software. Energy complex formation in solution was calculated as the difference of the Gibbs free energy of the solvated complex and its individual components. Results. Quantum chemical calculations show, that thiotriazolin and L-arginine are able to form ternary complexes, where molecules are linked by multiple hydrogen bonds. The calculation data suggest, that studied complexes are thermodynamically unstable in solution. The energies of them are positive, but rather low despite charge gain of a number of intermolecular hydrogen bonds. Finding. Based on the results of the conducted quantum-chemical study of a three components system (MTTA, morpholine, and L-arginine it is possible
Theoretical Study of Watershed Eco-Compensation Standards
Yan, Dandan; Fu, Yicheng; Liu, Biu; Sha, Jinxia
2018-01-01
Watershed eco-compensation is an effective way to solve conflicts over water allocation and ecological destruction problems in the exploitation of water resources. Despite an increasing interest in the topic, the researches has neglected the effect of water quality and lacked systematic calculation method. In this study we reviewed and analyzed the current literature and proposedatheoretical framework to improve the calculation of co-compensation standard.Considering the perspectives of the river ecosystems, forest ecosystems and wetland ecosystems, the benefit compensation standard was determined by the input-output corresponding relationship. Based on the opportunity costs related to limiting development and water conservation loss, the eco-compensation standard was calculated.In order to eliminate the defects of eco-compensation implementation, the improvement suggestions were proposed for the compensation standard calculation and implementation.
1,2-Propanediol. Comprehensive experimental and theoretical study
International Nuclear Information System (INIS)
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Nell, Gernot
2009-01-01
The standard (p 0 =0.1MPa) molar enthalpy of formation at the temperature 298.15 K of the liquid 1,2-propanediol was measured using combustion calorimetry. Molar enthalpies of vaporization of isomeric 1,2-propanediols were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. Thermochemical investigations of 1,2-ethanediol and 1,2-propanediol available in the literature were collected and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available sublimation enthalpies data and to recommend consistent and reliable set of vaporization and formation enthalpies for both diols under study. Ab initio calculations of gaseous molar enthalpy of formation of 1,2-ethanediol and 1,2-propanediol have been performed using the G3MP2 method and results are in excellent agreement with the selected experimental data.
Theoretical study of the elastic properties of titanium nitride
Institute of Scientific and Technical Information of China (English)
Jingdong CHEN; Yinglu ZHAO; Benhai YU; Chunlei WANG; Deheng SHI
2009-01-01
The equilibrium lattice parameter, relative volume V/Vo, elastic constants Cij, and bulk modulus of titanium nitride are successfully obtained using the ab initio plane-wave pseudopotential (PW-PP) method within the framework of density functional theory. The quasi-harmonic Debye model, using a set of total energy vs molar volume obtained with the PW-PP method, is applied to the study of the elastic properties and vibrational effects. We analyze the relationship between the bulk modulus and temperature up to 2000 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonously with increasing pressure and decreases with increasing temperature. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs func-tions.
Theoretical study of short pile effect in tunnel excavation
Tian, Xiao-yan; Liu, Jing; Gao, Xiao-mei; Li, Yuan
2017-09-01
The Misaki Sato Go ideal elastoplastic model is adopted and the two stage analysis theory is used to study the effect of tunnel excavation on short pile effect in this paper. In the first stage, the free field vertical displacement of the soil at the corresponding pile location is obtained by using empirical formula. In the second stage, the displacement is applied to the corresponding pile location. The equilibrium condition of micro physical differential equation settlement of piles. Then through logical deduction and the boundary condition expressions of the settlement calculation, obtain the pile side friction resistance and axial force of the week. Finally, an engineering example is used to analyze the influence of the change of main parameters on their effects.
Theoretical and computational studies in intermediate energy nuclear physics
International Nuclear Information System (INIS)
Elster, C.
1993-08-01
The research includes applications of many-body scattering theory to nuclear systems and studies of few-body systems described by effective hadronic field theories. Progress was made in bringing all first-order effects into the nonrelativistic elastic nucleon-nucleus scattering in a consistent fashion. This work is directed towards completely and reliably calculating the first-order term in a Watson expansion including a modification through the nulear medium. The research effort in few-body physics was concentrated on nucleon-nucleon (NN) scattering below pion production threshold, where recent measurements indicated that the backward-angle neutron-proton (np) differential cross section may show sensitivity to the size of the pion-nucleon coupling constant
Theoretical study of lithium clusters by electronic stress tensor
International Nuclear Information System (INIS)
Ichikawa, Kazuhide; Nozaki, Hiroo; Komazawa, Naoya; Tachibana, Akitomo
2012-01-01
We study the electronic structure of small lithium clusters Li_n (n = 2 ∼ 8) using the electronic stress tensor. We find that the three eigenvalues of the electronic stress tensor of the Li clusters are negative and degenerate, just like the stress tensor of liquid. This leads us to propose that we may characterize a metallic bond in terms of the electronic stress tensor. Our proposal is that in addition to the negativity of the three eigenvalues of the electronic stress tensor, their degeneracy characterizes some aspects of the metallic nature of chemical bonding. To quantify the degree of degeneracy, we use the differential eigenvalues of the electronic stress tensor. By comparing the Li clusters and hydrocarbon molecules, we show that the sign of the largest eigenvalue and the differential eigenvalues could be useful indices to evaluate the metallicity or covalency of a chemical bond.
On flaw tolerance of nacre: a theoretical study
Shao, Yue; Zhao, Hong-Ping; Feng, Xi-Qiao
2014-01-01
As a natural composite, nacre has an elegant staggered ‘brick-and-mortar’ microstructure consisting of mineral platelets glued by organic macromolecules, which endows the material with superior mechanical properties to achieve its biological functions. In this paper, a microstructure-based crack-bridging model is employed to investigate how the strength of nacre is affected by pre-existing structural defects. Our analysis demonstrates that owing to its special microstructure and the toughening effect of platelets, nacre has a superior flaw-tolerance feature. The maximal crack size that does not evidently reduce the tensile strength of nacre is up to tens of micrometres, about three orders higher than that of pure aragonite. Through dimensional analysis, a non-dimensional parameter is proposed to quantify the flaw-tolerance ability of nacreous materials in a wide range of structural parameters. This study provides us some inspirations for optimal design of advanced biomimetic composites. PMID:24402917
Exergy performance of different space heating systems: A theoretical study
DEFF Research Database (Denmark)
Kazanci, Ongun Berk; Shukuya, Masanori; Olesen, Bjarne W.
2016-01-01
, the effects of floor covering resistance on the whole system performance were studied using two heat sources; a natural gas fired condensing boiler and an air-source heat pump. The heating systems were also compared in terms of auxiliary exergy use for pumps and fans. The low temperature floor heating system......Three space heating systems (floor heating with different floor covering resistances, radiator heating with different working temperatures, warm-air heating with and without heat recovery) were compared using a natural gas fired condensing boiler as the heat source. For the floor heating systems...... performed better than other systems in terms of exergy demand. The use of boiler as a heat source for a low-exergy floor heating system creates a mismatch in the exergy supply and demand. Although an air-source heat pump could be a better heat source, this depends on the origin of the electricity supplied...
Theoretical nuclear reaction and structure studies using hyperons and photons
International Nuclear Information System (INIS)
Cotanch, S.R.
1992-01-01
Research in three principal areas is summarized: (1) Work in elementary hadron structure seeks to further the understanding of hadron structure within the framework of quantum chromodynamics (QCD) and QCD-based models. A comparative study of meson properties employed three relativistic models: an extended Dziembowski model, a generalized light-front approach, and a completely covariant null plane approach. (2) Work on the electromagnetic production of strangeness addressed systems involving the strange quark (hyperons) and hyperon electromagnetic production and radiative capture processes. (3) In the work on medium-energy photonuclear reactions, a large-scale continuum shell-model calculation was performed for (γ,N) and (N,γ) reactions at low and medium energies spanning the Δ isobar region
Theoretical Study of Sodium-Water Surface Reaction Mechanism
Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro
Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule on the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR).
Theoretical study of sodium-water surface reaction mechanism
International Nuclear Information System (INIS)
Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro
2012-01-01
Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule on the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)
Theoretical and experimental studies for optimization of PCRV top closures
International Nuclear Information System (INIS)
Ottosen, N.S.; Andersen, S.I.
1975-01-01
The results from the remaining part of the parameter study and the preparations for the verification of an optimized design are presented. Three models have been made in the same scale and with the same depth to span ratio α as the low LM-3 model from the first investigation, i.e. α=0.35. The model LM-5 was provided with reinforcement in the tensile zone, the upper part of the closure. This reinforcement did not influence the stresses and strains in the load carrying concrete, and the dome failed at the same pressure as in the unreinforced model LM-3. However, the closure did not disintegrate, but failed due to large overall deformations causing seal leakage. In the model LM-6, the inverted dome, which is formed at higher loads as demonstrated in LM-3, was reinforced perpendicular to the supposed middle surface. This reinforcement proved to be effective, giving the dome a higher ultimate load capacity. The LM-6 test stopped due to a circumferential crack in the flange. Finally, the unreinforced LM-7 closure was tested to failure. Apart from minor changes in the flange, LM-7 was identical to LM-3 except for the excavated upper part of the concrete, which in LM-3 formed the heavily cracked tensile zone. The ultimate load and the failure mode observed for this closure were the same as for the LM-3. The experimental results are compared to finite element calculations, in which plasticity and cracking of the concrete are taken into account, and the influence of different material models for the concrete is investigated. A unique failure criterion, which includes failure of the concrete for both tensile and compressive stresses in the same mathematical expression, is proposed. Based on the results obtained from the parameter study, a new closure design is proposed, which is optimized with respect to the requirements at service conditions and ultimate load
A theoretical study of cylindrical ultrasound transducers for intracavitary hyperthermia
International Nuclear Information System (INIS)
Lin, W.-L.; Fan, W.-C.; Yen, J.-Y.; Chen, Y.-Y.; Shieh, M.-J.
2000-01-01
Purpose: The purpose of this paper was to examine the heating patterns and penetration depth when a cylindrical ultrasound transducer is employed for intracavitary hyperthermia treatments. Methods and Materials: The present study employs a simulation program based on a simplified power deposition model for infinitely long cylindrical ultrasound transducers. The ultrasound power in the tissue is assumed to be exponentially attenuated according to the penetration depth of the ultrasound beam, and a uniform attenuation for the entire treatment region is also assumed. The distribution of specific absorption rate (SAR) ratio (the ratio of SAR for a point within the tissue to that for a specific point on the cavity surface) is used to determine the heating pattern for a set of given parameters. The parameters considered are the ultrasound attenuation in the tissue, the cavity size, and the transducer eccentricity. Results: Simulation results show that the ultrasound attenuation in the tissue, the cavity size, and the transducer eccentricity are the most influential parameters for the distribution of SAR ratio. A low frequency transducer located in a large cavity can produce a much better penetration. The cavity size is the major parameter affecting the penetration depth for a small cavity size, such as interstitial hyperthermia. The heating pattern can also be dramatically changed by the transducer eccentricity and radiating sector. In addition, for a finite length of cylindrical transducer, lower SAR ratio appears in the regions near the applicator's edges. Conclusion: The distribution of SAR ratio indicates the relationship between the treatable region and the parameters if an appropriate threshold of SAR ratio is taken. The findings of the present study comprehend whether or not a tumor is treatable, as well as select the optimal driving frequency, the appropriate cavity size, and the eccentricity of a cylindrical transducer for a specific treatment
Theoretical study of hydrogen-bridged beryllium compounds
International Nuclear Information System (INIS)
Hashimoto, Kenro; Osamura, Yoshihiro; Iwata, Suehiro
1986-01-01
Ab initio closed-shell SCF method, combined with the energy gradient technique, was applied to study the molecular structures and the stability of (i) beryllium dihydride and its polymers (BeH 2 ) n (n = 1 to 5), and of (ii) monosubstituted beryllium hydrides HBeX (X = BH 2 , CH 3 , NH 2 , OH, F and Cl). Basis set dependence on the geometries and the force constants of BeH 2 and (BeH 2 ) 2 was carefully examined. The minimal basis set gives us a qualitative picture for chemical bonding of beryllium, though at least the split-valence type basis set is needed to obtain quantitative results. The effect of the electron correlation on the dimerization energy of BeH 2 was studied with SDCI and MP3 methods and was not so important as on the dimerization energy of Be atom. The dimer formation of BeH 2 results from the strong orbital interaction between a σ orbital (HOMO) of one of BeH 2 and a vacant 2p π orbital (LUMO) of the other. The energy gain from (BeH 2 ) n to (BeH 2 ) n+1 was almost constant for n = 2, 3, and 4 (about 120 kJ/mol) and it is larger than that from BeH 2 to (BeH 2 ) 2 (about 80 kJ/mol). This result means that in the chemical bonding of Be atom the sp 3 hybridization is more favorable than the sp 2 hybridization, and the sp 2 is more than the sp hybridization. With STO-3G and 3 - 21G basis sets the molecular structures of a series of monosubstituted beryllium hydrides and their dimers were determined, and the vibrational frequencies were evaluated for them. Bond lengths between a Be atom and a neighboring atom become shorter as the electronegativity of the neighboring atom increases. In particular, the bonding with oxygen is found to be very strong. These hydrides tends to dimerize, and the dimerization energy is about 60 ∼ 100 kJ/mol, when the bridged atoms are hydrogen atoms, irrespective of the terminal substituents. (author)
Numerical study on transient local entropy generation in pulsating ...
Indian Academy of Sciences (India)
- soidal flow, step flow, and saw-down flow) and for varying periods. The flow and temperature fields are computed numerically with the help of the Fluent compu- tational fluid dynamics (CFD) code, and a computer program developed by us by.
Numerical and Experimental Study of Electromagnetically Driven Vortical Flows
Kenjeres, S.; Verdoold, J.; Tummers, M.J.; Hanjalic, K.; Kleijn, C.R.
2009-01-01
The paper reports on numerical and experimental investigations of electromagnetically driven vortical flows of an electrically conductive fluid in a generic setup. Two different configurations of permanent magnets are considered: a 3-magnet configuration in which the resulting Lorentz force is
Biosensor enhancement using grooved micromixers: Part I, numerical studies
Czech Academy of Sciences Publication Activity Database
Lynn, Nicholas Scott; Homola, Jiří
2015-01-01
Roč. 87, č. 11 (2015), s. 5516-5523 ISSN 0003-2700 R&D Projects: GA ČR(CZ) GBP205/12/G118 Institutional support: RVO:67985882 Keywords : Numerical methods * Micromixers * Analytes Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 5.886, year: 2015