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At least 73 records · Page 4

Lie–Poisson Neural Networks (LPNets): Data-based computing of Hamiltonian systems with symmetries

An accurate data-based prediction of the long-term evolution of Hamiltonian systems requires a network that preserves the appropriate structure under each time step. Every Hamiltonian system contains two essential ingredients: the Poisson bracket and the Hamiltonian. Hamiltonian systems with symmetries, whose paradigm examples are the Lie–Poisson systems, have been shown to describe a broad category of physical phenomena, from satellite motion to underwater vehicles, fluids, geophysical applications, complex fluids, and plasma physics. The Poisson bracket in these systems comes from the symmetries, while the Hamiltonian comes from the underlying physics. We view the symmetry of the system as primary, hence the Lie–Poisson bracket is known exactly, whereas the Hamiltonian is regarded as coming from physics and is considered not known, or known approximately. Using this approach, we develop a network based on transformations that exactly preserve the Poisson bracket and the special functions of the Lie–Poisson systems (Casimirs) to machine precision. We present two flavors of such systems: one, where the parameters of transformations are computed from data using a dense neural network (LPNets), and another, where the composition of transformations is used as building blocks (G-LPNets). We also show how to adapt these methods to a larger class of Poisson brackets. We apply the resulting methods to several examples, such as rigid body (satellite) motion, underwater vehicles, a particle in a magnetic field, and others. The methods developed in this paper are important for the construction of accurate data-based methods for simulating the long-term dynamics of physical systems.

Data-based modeling↗

Confidence limits for small numbers of events in astrophysical data

The calculation of limits for small numbers of astronomical counts is based on standard equations derived from Poisson and binomial statistics; although the equations are straightforward, their direct use is cumbersome and involves both table-interpolations and several mathematical operations. Convenient tables and approximate formulae are here presented for confidence limits which are based on such Poisson and binomial statistics. The limits in the tables are given for all confidence levels commonly used in astrophysics.

Gehrels, N.↗

Hamiltonian reduction of Vlasov–Maxwell to a dark slow manifold

In this work, we show that non-relativistic scaling of the collisionless Vlasov–Maxwell system implies the existence of a formal invariant slow manifold in the infinite-dimensional Vlasov–Maxwell phase space. Vlasov–Maxwell dynamics restricted to the slow manifold recovers the Vlasov–Poisson and Vlasov–Darwin models as low-order approximations, and provides higher-order corrections to the Vlasov–Darwin model more generally. The slow manifold may be interpreted to all orders in perturbation theory as a collection of formal Vlasov–Maxwell solutions that do not excite light waves, and are therefore ‘dark’. We provide a heuristic lower bound for the time interval over which Vlasov–Maxwell solutions initialized optimally near the slow manifold remain dark. We also show how the dynamics on the slow manifold naturally inherits a Hamiltonian structure from the underlying system. After expressing this structure in a simple form, we use it to identify a manifestly Hamiltonian correction to the Vlasov–Darwin model. The derivation of higher-order terms is reduced to computing the corrections of the system Hamiltonian restricted to the slow manifold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Solution of the stochastic control problem in unbounded domains.

Bellman's dynamic programming equation for the optimal index and control law for stochastic control problems is a parabolic or elliptic partial differential equation frequently defined in an unbounded domain. Existing methods of solution require bounded domain approximations, the application of singular perturbation techniques or Monte Carlo simulation procedures. In this paper, using the fact that Poisson impulse noise tends to a Gaussian process under certain limiting conditions, a method which achieves an arbitrarily good approximate solution to the stochastic control problem is given. The method uses the two iterative techniques of successive approximation and quasi-linearization and is inherently more efficient than existing methods of solution.

Robinson, P.↗

Machine learning elastic constants of multi-component alloys

The present manuscript explores application of machine learning methods for determining elastic constants and other derived mechanical properties of multi-component alloys. Here, a number of machine learning models, including linear regression, neural network and random forest based models, are trained and tested on a dataset of binary alloys generated using density functional theory (DFT) calculations and spanning over a large number of elemental species in the periodic table. Starting with a wide range of simple and easily accessible compositionally-averaged elemental features, a correlation-based feature selection strategy was used to systematically down-select a set of most relevant features towards the prediction of the elasticity tensor components. The true predictive performance and the associated uncertainties of the models were established by testing on unseen data and bootstrapping, respectively. A single and pair-wise feature partial dependence analysis was performed to visualize the average property trends in the multi-dimensional feature space in order to further understand the achieved predictive performance. The utility of the trained model is further demonstrated by obtaining sufficiently accurate yet highly efficient approximations for bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio for alloys beyond the binary space (i.e., two-component alloys) on which the model was originally trained. More importantly, we test and validate the predictive performance of the developed model directly against the experimentally measured elastic constants of technologically relevant multi-component alloys (such as, Ni- and Ti-based alloys). Finally, utility of such a data-enabled route is demonstrated by predicting the possible range of various elastic properties for vast composition space available within the five component Ni-Cr-Fe-Mo-W alloy system in a high-throughput manner.

36 MATERIALS SCIENCE↗

On finite-dimensional smoothed-particle Hamiltonian reductions of the Vlasov equation

The inclusion of spatial smoothing in finite-dimensional particle-based Hamiltonian reductions of the Vlasov equation and related models is considered. Here, this work investigates the underlying Hamiltonian structure of such smoothed particle-based methods for Hamiltonian systems and the small-scale regularization such methods implicitly make in approximating the continuum theory. In the context of the Vlasov–Poisson equation and other mean-field Lie–Poisson systems, of which Vlasov–Poisson is a special case, smoothing amounts to a convolutive regularization of the Hamiltonian. This regularization may be interpreted as a change of the inner product structure used to identify the dual space in the Lie–Poisson Hamiltonian formulation. In particular, the shape function used for spatial smoothing may be identified as the kernel function of a reproducing kernel Hilbert space whose inner product is used to define the Lie–Poisson Hamiltonian structure. It is likewise possible to introduce smoothing in the Vlasov–Maxwell system, but in this case the Poisson bracket must be modified rather than the Hamiltonian. The smoothing applied to the Vlasov–Maxwell system is incorporated by inserting smoothing in the map from canonical to kinematic coordinates. In the filtered system, the Lorentz force law and the current, the two terms coupling the Vlasov equation with Maxwell’s equations, are spatially smoothed.

Hamiltonian mechanics↗

Numerical simulation of spacecraft charging phenomena

A numerical simulation program is being constructed having the following features: (1) infinite circular cylindrical geometry with angle-dependence, (2) inclusion of incident particles, photoelectrons, secondary electrons, backscattered electrons, any gun emissions, and any internal current pathways including surface conductive layers, (3) quasistatic time-dependent iteration, in which sheath potential changes during particle transit times are ignored, (4) use of approximate, locally-dependent space charge density expressions in solving Poisson's equation for sheath potentials, with use of numerical orbit-following to determine surface currents, and (5) incident particle velocity distributions isotropic or beam-like, or some superposition of these. Rationales for each of these features are discussed.

Laframboise, J. G.↗

On the prescription of boundary conditions for nonlocal Poisson's and peridynamics models

We introduce a technique to automatically convert local boundary conditions into nonlocal volume constraints for nonlocal Poisson’s and peridynamic models. The proposed strategy is based on the approximation of nonlocal Dirichlet or Neumann data with a local solution obtained by using available boundary, local data. The corresponding nonlocal solution converges quadratically to the local solution as the nonlocal horizon vanishes, making the proposed technique asymptotically compatible. The proposed conversion method does not have any geometry or dimensionality constraints and its computational cost is negligible, compared to the numerical solution of the nonlocal equation. The consistency of the method and its quadratic convergence with respect to the horizon is illustrated by several two-dimensional numerical experiments conducted by meshfree discretization for both the Poisson’s problem and the linear peridynamic solid model.

97 MATHEMATICS AND COMPUTING↗

A solution method for the unsteady incompressible Navier-Stokes equations in generalized coordinate systems

A solution method based on a fractional step approach is developed for obtaining time-dependent solutions of the three-dimensional, incompressible Navier-Stokes equations in generalized coordinate systems. The governing equations are discretized conservatively by finite volumes using a staggered mesh system. The primitive variable formulation uses the volume fluxes across the faces of each computational cell as dependent variables. This procedure, combined with accurate and consistent approximations of geometric parameters, is done to satisfy the discretized mass conservation equation to machine accuracy as well as to gain favorable convergence properties of the Poisson solver. The discretized equations are second-order-accurate in time and space and no smoothing terms are added. An approximate-factorization scheme is implemented in solving the momentum equations. A novel ZEBRA scheme with four-color ordering is devised for the efficient solution of the Poisson equation. Several two and three-dimensional solutions are compared with other numerical and experimental results to validate the present method.

Rosenfeld, Moshe↗

Fast direct numerical solution of the nonhomogeneous Cauchy-Riemann equations

A fast direct (noniterative) 'Cauchy-Riemann Solver' is developed for solving the finite-difference equations representing systems of first-order elliptic partial differential equations in the form of the nonhomogeneous Cauchy-Riemann equations. The method is second-order accurate and requires approximately the same computer time as a fast cyclic-reduction Poisson solver. The accuracy and efficiency of the direct solver are demonstrated in an application to solving an example problem in aerodynamics: subsonic inviscid flow over a biconvex airfoil. The analytical small-perturbation solution contains singularities, which are captured well by the computational technique. The algorithm is expected to be useful in nonlinear subsonic and transonic aerodynamics.

Lomax, H.↗

High-precision quantum algorithms for partial differential equations

Quantum computers can produce a quantum encoding of the solution of a system of differential equations exponentially faster than a classical algorithm can produce an explicit description. However, while high-precision quantum algorithms for linear ordinary differential equations are well established, the best previous quantum algorithms for linear partial differential equations (PDEs) have complexity poly(1/ϵ), where ϵ is the error tolerance. By developing quantum algorithms based on adaptive-order finite difference methods and spectral methods, we improve the complexity of quantum algorithms for linear PDEs to be poly(d,log(1/ϵ)), where d is the spatial dimension. Our algorithms apply high-precision quantum linear system algorithms to systems whose condition numbers and approximation errors we bound. We develop a finite difference algorithm for the Poisson equation and a spectral algorithm for more general second-order elliptic equations.

97 MATHEMATICS AND COMPUTING↗

Extensions to the classical calculation of the effect of mutual shadowing in diffuse reflection

The classical method for accounting for the mutual shadowing among closely packed particles in multiple scattering calculations is extended in the following ways. (1) By modeling the particle distribution by a Poisson process with a varying density parameter, a 'Van der Waals' type approximation allows extension to a greater fractional volume density, D. In this case it is only required that D squared be much less than 1 instead of D being much less than 1. (2) In the case that the particle distribution is not uniform the classical calculation may be weighted by the pair correlation function of the distribution. (3) The use of the Markov chain formalism for radiative transfer allows inclusion of the effect of shadowing for two orders of scattering. For conditions such as might apply in Saturn's rings, the inclusion of this effect makes less than a 0.1% difference in the calculated phase curves, compared to previous calculations which have included shadowing only in the first scattering. The latter are thus shown to be quite accurate.

Esposito, L. W.↗

The electrostatics of a dusty plasma

The potential distribution in a plasma containing dust grains were derived where the Debye length can be larger or smaller than the average intergrain spacing. Three models were treated for the grain-plasma system, with the assumption that the system of dust and plasma is charge-neutral: a permeable grain model, an impermeable grain model, and a capacitor model that does not require the nearest neighbor approximation of the other two models. A gauge-invariant form of Poisson's equation was used which is linearized about the average potential in the system. The charging currents to a grain are functions of the difference between the grain potential and this average potential. Expressions were obtained for the equilibrium potential of the grain and for the gauge-invariant capacitance between the grain and the plasma. The charge on a grain is determined by the product of this capacitance and the grain-plasma potential difference.

Whipple, E. C.↗

Piezoelectric Field Enhanced Second-Order Nonlinear Optical Susceptibilities in Wurtzite GaN/AlGaN Quantum Wells

Second-order nonlinear optical processes including second-harmonic generation, optical rectification, and difference-frequency generation associated with intersubband transitions in wurtzite GaN/AlGaN quantum well (QW) are investigated theoretically. Taking into account the strain-induced piezoelectric (PZ) effects, we solve the electronic structure of the QW from coupled effective-mass Schrodinger equation and Poisson equation including the exchange-correlation effect under the local-density approximation. We show that the large PZ field in the QW breaks the symmetry of the confinement potential profile and leads to large second-order susceptibilities. We also show that the interband optical pump-induced electron-hole plasma results in an enhancement in the maximum value of the nonlinear coefficients and a redshift of the peak position in the nonlinear optical spectrum. By use of the difference-frequency generation, THz radiation can be generated from a GaN/Al(0.75)Ga(0.25)N with a pump laser of 1.55 micron.

Liu, Ansheng↗

Rayleigh-Sommerfield Diffraction vs Fresnel-Kirchhoff, Fourier Propagation and Poisson's Spot

The boundary conditions imposed on the diffraction problem in order to obtain the Fresnel-Kirchhoff (FK) solution are well-known to be mathematically inconsistent and to be violated by the solution when the observation point is close to the diffracting screen 1-3. These problems are absent in the Rayleigh-Sommerfeld (RS) solution. The difference between RS and FK is in the inclination factor and is usually immaterial because the inclination factor is approximated by unity. But when this approximation is not valid, FK can lead to unacceptable answers. Calculating the on-axis intensity of Poisson s spot provides a critical test, a test passed by RS and failed by FK. FK fails because (a) convergence of the integral depends on how it is evaluated and (b) when the convergence problem is xed, the predicted amplitude at points near the obscuring disk is not consistent with the assumed boundary conditions.

RS (RAYLEIGH SOMMERFELD)↗

Simulation of Mechanical Fractionation of Chopped Whole-Plant Corn (WPC) Using Discrete Element Method (DEM)

Fractionating whole-plant corn (WPC) in a single-pass harvesting system requires studies on the WPC-to-equipment interaction for improved property control, as well as mechanical and air-driven separation processes compared to the traditional multi-pass grain and stover harvesting system. The discrete element method (DEM) technique has the potential to simulate WPC mechanical fractionation and support simulation-based design of WPC separation processes. In this study, methods to develop DEM particle models of WPC (kernel, cob, stalk, and husk) and their material properties for simulating mass fractionation using the ASABE standard mechanical shaker were proposed. Measurement was done on the axial dimensions (major, intermediate, and minor) and mass of each WPC type (mean sample size is 56), sampled from single-pass harvesting. Applying gaussian multivariate regression and bootstrapping re-sampling techniques, a DEM particle approximate to each WPC was developed. Sensitivity analysis of the DEM Young‘s modulus, Poisson‘s ratio, and interaction parameters of coefficient of restitution, coefficient of rolling friction, and coefficient of static friction on mass fraction was performed after 156 ASABE sieve-shaking DEM simulation runs, generated using Latin Hypercube Design (LHD) design of experiment (DOE) from 19 DEM material parameters. DEM simulation using Hertz-Mindlin with flexible bond contact laws and DOE optimized material properties successfully reproduced the mass fractions retained in ASABE sieves at 9.8% mean relative error and a coefficient of determination of R2 = 0.87. Here, the DEM methodology developed for mechanical WPC mass fractionation could be deployed to perform virtual design of feedstock handling equipment and performance analysis of mechanical fraction systems.

09 BIOMASS FUELS↗

A Structure-Preserving Decorated Particle Method for the Vlasov-Poisson System

We revisit the Scovel-Weinstein framework (Scovel & Weinstein, CPAM 1994) for reducing the Vlasov-Poisson system while preserving its Hamiltonian structure. Standard particle-in-cell (PIC) algorithms approximate the distribution function by macro-particles with position and velocity. In contrast, Scovel-Weinstein decorated particles involve additional shape degrees of freedom, while maintaining a finite-dimensional reduction with Hamiltonian structure inherited from the continuum model. Although the original work established this structure three decades ago, its computational potential has remained largely unexplored. We present a practical implementation of the Scovel-Weinstein model and compare it with a standard PIC algorithm. Numerical experiments demonstrate that macro-particles in standard PIC can be replaced by far fewer decorated particles while retaining comparable accuracy. This decorated particle approach offers a new structure-preserving paradigm for kinetic plasma simulation.

65M75, 70H05, 70G65↗

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗