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At least 739 records · Page 41

Missing matter in the vicinity of the sun

The Poisson and Vlasov equations are solved numerically for realistic Galaxy models which include multiple disk components, a Population II spheroid, and an unseen massive halo. The total amount of matter in the vicinity of the sun is determined by comparing the observed distributions of tracer stars, samples of F dwarfs, and K giants with the predictions of the Galaxy models. Results are obtained for a number of different assumed distributions of the unseen disk mass. For all the observed samples, typical models imply that about half of the mass in the solar vicinity must be in the form of unobserved matter. The volume density of unobserved material near the sun is about 0.1 solar mass/cu pc; the corresponding column density is about 30 solar mass/sq pc. This so far unseen material must be in a disk with an exponential scale height of less than 0.7 kpc.

Bahcall, John N.↗

Dark matter in the galactic disk

Observational data on the distributions of tracer stars, F dwarfs and K giants were used as input to obtain self-consistent solutions for the Poisson and Vlasov equations to set bounds on the amount of missing matter in the solar neighborhood. The numerical computations were carried out using Galaxy models which feature multiple disk components and an unseen massive halo. The star data included the mass components and velocity dispersions. Consideration of various possible distributions of the unseen matter leads to the conjecture that half of the disk material in the solar neighborhood has yet to be observed. Techniques for determining if brown dwarfs are a significant component of the missing mass are discussed, as are improved models which would use limited numbers of tracer stars to set further constraints on the amount and distribution of the missing mass.

Bahcall, John N.↗

Elliptic generation of composite three-dimensional grids about realistic aircraft

An elliptic method for generating composite grids about realistic aircraft is presented. A body-conforming grid is first generated about the entire aircraft by the solution of Poisson's differential equation. This grid has relatively coarse spacing, and it covers the entire physical domain. At boundary surfaces, cell size is controlled and cell skewness is nearly eliminated by inhomogeneous terms, which are found automatically by the program. Certain regions of the grid in which high gradients are expected, and which map into rectangular solids in the computational domain, are then designated for zonal refinement. Spacing in the zonal grids is reduced by adding points with a simple, algebraic scheme. Details of the grid-generation method are presented along with results of the present application, a wing/body configuration based on the F-16 fighter aircraft.

Sorenson, Reese L.↗

The 3DGRAPE book: Theory, users' manual, examples

A users' manual for a new three-dimensional grid generator called 3DGRAPE is presented. The program, written in FORTRAN, is capable of making zonal (blocked) computational grids in or about almost any shape. Grids are generated by the solution of Poisson's differential equations in three dimensions. The program automatically finds its own values for inhomogeneous terms which give near-orthogonality and controlled grid cell height at boundaries. Grids generated by 3DGRAPE have been applied to both viscous and inviscid aerodynamic problems, and to problems in other fluid-dynamic areas. The smoothness for which elliptic methods are known is seen here, including smoothness across zonal boundaries. An introduction giving the history, motivation, capabilities, and philosophy of 3DGRAPE is presented first. Then follows a chapter on the program itself. The input is then described in detail. A chapter on reading the output and debugging follows. Three examples are then described, including sample input data and plots of output. Last is a chapter on the theoretical development of the method.

Sorenson, Reese L.↗

Calculation of the electron wave function in a graded-channel double-heterojunction modulation-doped field-effect transistor

Three double-heterojunction modulation-doped field-effect transistor structures with different channel composition are investigated theoretically. All of these transistors have an In(x)Ga(1-x)As channel sandwiched between two doped Al(0.3)Ga(0.7)As barriers with undoped spacer layers. In one of the structures, x varies from 0 from either heterojunction to 0.15 at the center of the channel quadratically; in the other two, constant values of x of 0 and 0.15 are used. The Poisson and Schroedinger equations are solved self-consistently for the electron wave function in all three cases. The results showed that the two-dimensional electron gas (2DEG) concentration in the channel of the quadratically graded structure is higher than the x = 0 one and slightly lower than the x = 0.15 one, and the mean distance of the 2DEG is closer to the center of the channel for this transistor than the other two. These two effects have important implications on the electron mobility in the channel.

Mui, D. S. L.↗

A splitting algorithm for Vlasov simulation with filamentation filtration

A Fourier-Fourier transformed version of the splitting algorithm for simulating solutions of the Vlasov-Poisson system of equations is introduced. It is shown that with the inclusion of filamentation filtration in this transformed algorithm it is both faster and more stable than the standard splitting algorithm. It is further shown that in a scalar computer environment this new algorithm is approximately equal in speed and far less noisy than its particle-in-cell counterpart. It is conjectured that in a multiprocessor environment the filtered splitting algorithm would be faster while producing more precise results.

Klimas, A. J.↗

A {1,2}-Order Plate Theory Accounting for Three-Dimensional Thermoelastic Deformations in Thick Composite and Sandwich Laminates

A {1,2}-order theory for laminated composite and sandwich plates is extended to include thermoelastic effects. The theory incorporates all three-dimensional strains and stresses. Mixed-field assumptions are introduced which include linear in-plane displacements, parabolic transverse displacement and shear strains, and a cubic distribution of the transverse normal stress. Least squares strain compatibility conditions and exact traction boundary conditions are enforced to yield higher polynomial degree distributions for the transverse shear strains and transverse normal stress through the plate thickness. The principle of virtual work is used to derive a 10th-order system of equilibrium equations and associated Poisson boundary conditions. The predictive capability of the theory is demonstrated using a closed-form analytic solution for a simply-supported rectangular plate subjected to a linearly varying temperature field across the thickness. Several thin and moderately thick laminated composite and sandwich plates are analyzed. Numerical comparisons are made with corresponding solutions of the first-order shear deformation theory and three-dimensional elasticity theory. These results, which closely approximate the three-dimensional elasticity solutions, demonstrate that through - the - thickness deformations even in relatively thin and, especially in thick. composite and sandwich laminates can be significant under severe thermal gradients. The {1,2}-order kinematic assumptions insure an overall accurate theory that is in general superior and, in some cases, equivalent to the first-order theory.

Tessler, A.↗

Quantification of Steady-State Ion Transport through Single Conical Nanopores and a Nonuniform Distribution of Surface Charges

Electrostatic interactions of mobile charges in solution with the fixed surface charges are known to strongly affect stochastic sensing and electrochemical energy conversion processes at nanodevices or devices with nanostructured interfaces. The key parameter to describe this interaction, surface charge density (SCD), is not directly accessible at nanometer scale and often extrapolated from ensemble values. In this report, the steady-state current–voltage (i–V) curves measured using single conical glass nanopores in different electrolyte solutions are fitted by solving Poisson and Nernst–Planck equations through finite element approach. Both high and low conductivity state currents of the rectified i–V curve are quantitatively fitted in simulation at less than 5% error. The overestimation of low conductivity state current using existing models is overcome by the introduction of an exponential SCD distribution inside the conical nanopore. A maximum SCD value at the pore orifice is determined from the fitting of the high conductivity state current, while the distribution length of the exponential SCD gradient is determined by fitting the low conductivity state current. Quantitative fitting of the rectified i–V responses and the efficacy of the proposed model are further validated by the comparison of electrolytes with different types of cations (K + and Li + ). In conclusion, the gradient distribution of surface charges is proposed to be dependent on the local electric field distribution inside the conical nanopore.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A gyrokinetic one-dimensional scrape-off layer model of an edge-localized mode heat pulse

An electrostatic gyrokinetic-based model is applied to simulate parallel plasma transport in the scrape-off layer to a divertor plate. The authors focus on a test problem that has been studied previously, using parameters chosen to model a heat pulse driven by an edge-localized mode in JET. Previous work has used direct particle-in-cell equations with full dynamics, or Vlasov or fluid equations with only parallel dynamics. With the use of the gyrokinetic quasineutrality equation and logical sheath boundary conditions, spatial and temporal resolution requirements are no longer set by the electron Debye length and plasma frequency, respectively. This test problem also helps illustrate some of the physics contained in the Hamiltonian form of the gyrokinetic equations and some of the numerical challenges in developing an edge gyrokinetic code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Systems improved numerical differencing analyzer

Program solves physical problems governed by diffusion-type equations, provided that equations can be modeled by lumped-parameter representation. Program is used for thermal analysis, and could be adapted to solve Fourier, Poisson, and Laplace differential equations. Program is in FORTRAN IV and Assembler for execution on UNIVAC 1100-series or CYBER 175.

Source record↗

Ab Initio Study of the Electronic Structure, Elastic Properties, Magnetic Feature and Thermodynamic Properties of the Ba{sub 2}NiMoO{sub 6} Material

We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba{sub 2}NiMoO{sub 6} double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C{sub V} ≈ C{sub P} was found at temperatures below T = 400 K, with Dulong–Petit limit values, which is higher than those, reported for simple perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Implementation of Laminate Theory Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were implemented into a mechanics of materials based micromechanics method. In the current work, the computation of the effective inelastic strain in the micromechanics model was modified to fully incorporate the Poisson effect. The micromechanics equations were also combined with classical laminate theory to enable the analysis of symmetric multilayered laminates subject to in-plane loading. A quasi-incremental trapezoidal integration method was implemented to integrate the constitutive equations within the laminate theory. Verification studies were conducted using an AS4/PEEK composite using a variety of laminate configurations and strain rates. The predicted results compared well with experimentally obtained values.

Goldberg, Robert K.↗

A vectorized Poisson solver over a spherical shell and its application to the quasi-geostrophic omega-equation

The quasi-geostrophic omega-equation in flux form is developed as an example of a Poisson problem over a spherical shell. Solutions of this equation are obtained by applying a two-parameter Chebyshev solver in vector layout for CDC 200 series computers. The performance of this vectorized algorithm greatly exceeds the performance of its scalar analog. The algorithm generates solutions of the omega-equation which are compared with the omega fields calculated with the aid of the mass continuity equation.

Mullenmeister, Paul↗

On the singularity of the Vlasov-Poisson system

The Vlasov-Poisson system can be viewed as the collisionless limit of the corresponding Fokker-Planck-Poisson system. It is reasonable to expect that the result of Landau damping can also be obtained from the Fokker-Planck-Poisson system when the collision frequency ν approaches zero. However, we show that the collisionless Vlasov-Poisson system is a singular limit of the collisional Fokker-Planck-Poisson system, and Landau's result can be recovered only as the ν approaches zero from the positive side.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

This paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver. We introduce and discuss the following components in order: the Poisson-Boltzmann model, boundary integral equation reformulation, surface mesh generation, the nodepatch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel operations. For each component, we also remark on feasible approaches for further improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. Lastly, the potential of the solver is demonstrated with preliminary numerical results.

97 MATHEMATICS AND COMPUTING↗

Modeling techniques for quantum cascade lasers

Quantum cascade lasers are unipolar semiconductor lasers covering a wide range of the infrared and terahertz spectrum. Lasing action is achieved by using optical intersubband transitions between quantized states in specifically designed multiple-quantum-well heterostructures. A systematic improvement of quantum cascade lasers with respect to operating temperature, efficiency, and spectral range requires detailed modeling of the underlying physical processes in these structures. Moreover, the quantum cascade laser constitutes a versatile model device for the development and improvement of simulation techniques in nano- and optoelectronics. This review provides a comprehensive survey and discussion of the modeling techniques used for the simulation of quantum cascade lasers. The main focus is on the modeling of carrier transport in the nanostructured gain medium, while the simulation of the optical cavity is covered at a more basic level. Specifically, the transfer matrix and finite difference methods for solving the one-dimensional Schrödinger equation and Schrödinger-Poisson system are discussed, providing the quantized states in the multiple-quantum-well active region. The modeling of the optical cavity is covered with a focus on basic waveguide resonator structures. Furthermore, various carrier transport simulation methods are discussed, ranging from basic empirical approaches to advanced self-consistent techniques. The methods include empirical rate equation and related Maxwell-Bloch equation approaches, self-consistent rate equation and ensemble Monte Carlo methods, as well as quantum transport approaches, in particular the density matrix and non-equilibrium Green's function formalism. The derived scattering rates and self-energies are generally valid for n-type devices based on one-dimensional quantum confinement, such as quantum well structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Integrated optical and electrical modeling of plasmon-enhanced thin film photovoltaics: A case-study on organic devices

The nanoscale light control for absorption enhancement of organic photovoltaic (OPV) devices inevitably produces strongly non-uniform optical fields. These non-uniformities due to the localized optical modes are a primary route toward absorption enhancement in OPV devices. Therefore, a rigorous modeling tool taking into account the spatial distribution of optical field and carrier generation is necessary. Presented here is a comprehensive numerical model to describe the coupled optical and electrical behavior of plasmon-enhanced polymer:fullerene bulk heterojunction (BHJ) solar cells. In this model, a position-dependent electron-hole pair generation rate that could become highly non-uniform due to photonic nanostructures is directly calculated from the optical simulations. By considering the absorption and plasmonic properties of nanophotonic gratings included in two different popular device architectures, and applying the Poisson, current continuity, and drift/diffusion equations, the model predicts quantum efficiency, short-circuit current density, and desired carrier mobility ratios for bulk heterojunction devices incorporating nanostructures for light management. In particular, the model predicts a significant degradation of device performance when the carrier species with lower mobility are generated far from the collecting electrode. Consequently, an inverted device architecture is preferred for materials with low hole mobility. This is especially true for devices that include plasmonic nanostructures. Additionally, due to the incorporation of a plasmonic nanostructure, we use simulations to theoretically predict absorption band broadening of a BHJ into energies below the band gap, resulting in a 4.8% increase in generated photocurrent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

We present an efficient implicit incompressible smoothed particle hydrodynamics (I2SPH) discretization of Navier-Stokes, Poisson-Boltzmann, and advection-diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The I2SPH's accuracy and convergence are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. The new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

Pan, Wenxiao↗