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At least 1,459 records · Page 81

Time-series forecasting using manifold learning, radial basis function interpolation, and geometric harmonics

We address a three-tier numerical framework based on nonlinear manifold learning for the forecasting of high-dimensional time series, relaxing the “curse of dimensionality” related to the training phase of surrogate/machine learning models. At the first step, we embed the high-dimensional time series into a reduced low-dimensional space using nonlinear manifold learning (local linear embedding and parsimonious diffusion maps). Then, we construct reduced-order surrogate models on the manifold (here, for our illustrations, we used multivariate autoregressive and Gaussian process regression models) to forecast the embedded dynamics. Finally, we solve the pre-image problem, thus lifting the embedded time series back to the original high-dimensional space using radial basis function interpolation and geometric harmonics. The proposed numerical data-driven scheme can also be applied as a reduced-order model procedure for the numerical solution/propagation of the (transient) dynamics of partial differential equations (PDEs). In conclusion, we assess the performance of the proposed scheme via three different families of problems: (a) the forecasting of synthetic time series generated by three simplistic linear and weakly nonlinear stochastic models resembling electroencephalography signals, (b) the prediction/propagation of the solution profiles of a linear parabolic PDE and the Brusselator model (a set of two nonlinear parabolic PDEs), and (c) the forecasting of a real-world data set containing daily time series of ten key foreign exchange rates spanning the time period 3 September 2001–29 October 2020.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Evaluation of Unsaturated-Zone Flow and Transport Pathways at Rainier Mesa, Nevada

Sixty-one underground nuclear tests were conducted at Rainier Mesa at the Nevada National Security Site between 1957 and 1992. The mesa includes the highest-elevation areas at the Nevada National Security Site and experiences some of the highest estimated infiltration rates. Perched water is ubiquitous in many of the tunnels used for testing. The presence of sloping layers with strongly varying degrees of fracturing and overall permeability suggests that some infiltrating water may be diverted laterally along higher-permeability layers, thereby reducing overall percolation flux and radionuclide transport through the low-permeability testing horizons but also potentially transporting radionuclides laterally away from the test locations. A high-resolution, two-dimensional, cross-sectional model was created to simulate water and particle movement along potential lateral flow paths and to investigate flow and transport paths within and surrounding the perched water bodies. The model results indicate that particles with starting locations within the low-permeability perching layers will follow dominantly vertical trajectories through the perching horizons and reach the water table in the underlying carbonate aquifer only after many thousands of years. In contrast, particles starting near ground surface above the testing horizon are mostly diverted laterally before reaching the testing horizon, except where nearby faults through the perching layers are present. Where the rock above the perching horizon is fractured, particles originating near ground surface can move laterally with relatively high transport velocities. Transport calculations for 3 H show that transport extent is limited by slow matrix flow, radioactive decay, and matrix diffusion in the fractured units.

54 ENVIRONMENTAL SCIENCES↗

Low-Frequency Oscillations and Transport Processes Induced by Multiscale Transverse Structures in the Polar Wind Outflow: A Three-Dimensional Simulation

Multiscale transverse structures in the magnetic-field-aligned flows have been frequently observed in the auroral region by FAST and Freja satellites. A number of multiscale processes, such as broadband low-frequency oscillations and various cross-field transport effects are well correlated with these structures. To study these effects, we have used our three-dimensional multifluid model with multiscale transverse inhomogeneities in the initial velocity profile. Self-consistent-frequency mode driven by local transverse gradients in the generation of the low field-aligned ion flow and associated transport processes were simulated. Effects of particle interaction with the self-consistent time-dependent three-dimensional wave potential have been modeled using a distribution of test particles. For typical polar wind conditions it has been found that even large-scale (approximately 50 - 100 km) transverse inhomogeneities in the flow can generate low-frequency oscillations that lead to significant flow modifications, cross-field particle diffusion, and other transport effects. It has also been shown that even small-amplitude (approximately 10 - 20%) short-scale (approximately 10 km) modulations of the original large-scale flow profile significantly increases low-frequency mode generation and associated cross-field transport, not only at the local spatial scales imposed by the modulations but also on global scales. Note that this wave-induced cross-field transport is not included in any of the global numerical models of the ionosphere, ionosphere-thermosphere, or ionosphere-polar wind. The simulation results indicate that the wave-induced cross-field transport not only affects the ion outflow rates but also leads to a significant broadening of particle phase-space distribution and transverse particle diffusion.

Ganguli, Supriya B.↗

A compartmentalized model of multiphase chemical kinetics

There are significant challenges in predicting multiphase chemical kinetics due to the complex coupling of reaction and mass transport across a phase boundary (i.e., interface). Here, we describe a framework for predicting multiphase kinetics that embeds the elementary kinetic steps of reaction, solvation, and diffusion into a coarse grain spatial description of two phases. The model is constructed to bridge the short-timescale interfacial dynamics observed in molecular simulations with the longer timescales observed in kinetic experiments. A simple set of governing differential equations is derived, which, when solved numerically or analytically, yield accurate predictions of multiphase kinetics in microdroplets. Although the equations are formulated for gas-liquid reactions, the underlying conceptual framework is general and can be applied to transformations in other two-phase systems (solid-liquid, liquid-liquid, etc.).

Chemical kinetics and dynamics↗

Droplet Evaporation-Based Approach for Microliter Fuel Property Measurements

Small-volume, high-throughput screening techniques are sought to enable downselection from a large candidate pool of bio-blendstocks to a select few, having physical properties consistent with requirements of downsized, turbo-boosted internal combustion engines. Herein, this work presents a droplet evaporation-based approach to predict heat of vaporization, vapor pressure, diffusion coefficient, and Lennard–Jones parameters for an unknown fuel. Two different schemes, considering the isothermal evaporation of a moving droplet in ambient air, are proposed, which combine droplet velocity and temperature measurements, with some known properties to predict unknown properties. The schemes utilize an inverse solution of a transient model of droplet evaporation solved in an iterative fashion. A baseline scheme, which only requires droplet size change measurements, is evaluated using test data for three liquid fuels, comprising of alkanes and alcohols, as obtained in a temperature-controlled chamber. Results yield temperature-dependent heat of vaporization and vapor pressure predictions within 10 % and 22 %, respectively, of reference values. The advanced scheme, which additionally requires droplet temperature measurement, is numerically evaluated in the current work and will be experimentally validated in future efforts. The advanced scheme is found to significantly improve prediction quality, with deviations less than 2 % and 1 % for heat of vaporization and vapor pressure, while also predicting diffusion coefficient and Lennard–Jones parameters within 5 % and 8 %, respectively. The combined set of approaches, which primarily track droplet evaporation, can be incorporated into a small-volume, high-throughput fuel screening process.

09 BIOMASS FUELS↗

An improved iterative HDG approach for partial differential equations

Here we propose and analyze an iterative high-order hybridized discontinuous Galerkin (iHDG) discretization for linear partial differential equations. We improve our previous work [45] in several directions: 1) the improved iHDG approach converges in a finite number of iterations for the scalar transport equation; 2) it is unconditionally convergent for both the linearized shallow water system and the convection–diffusion equation; 3) it has improved stability and convergence rates; 4) we uncover a relationship between the number of iterations and time stepsize, solution order, meshsize and the equation parameters. This allows us to choose the time stepsize such that the number of iterations is approximately independent of the solution order and the meshsize; and 5) we provide both strong and weak scalings of the improved iHDG approach up to 16,384 cores. A connection between iHDG and time integration methods such as parareal and implicit/explicit methods are discussed. Extensive numerical results for linear (and nonlinear) PDEs are presented to verify the theoretical findings.

97 MATHEMATICS AND COMPUTING↗

A numerical study of the pitch-angle scattering of cosmic rays

The results are presented of a careful study of finite-difference solutions to the problem of cosmic-ray transport, including pitch-angle scattering. In contrast to some recent studies, the diffusion approximation is confirmed in cases where the scattering mean free path is small compared with other length scales. The reasons for the discrepancy with the conclusions of Gombosi and Owens are discussed.

Kota, J.↗

POLCA8 - modelling of cross section variations inside hexagonal assemblies

This paper presents the POLCA8 approach for modelling non-constant cross section distributions inside hexagonal fuel assemblies. The multigroup diffusion equation is modified to account for intranodal cross section variations. The obtained equation is solved in a node-wise manner based on the Fourier expansion method. As a result of varying cross sections, the solution includes a particular part additionally to the homogeneous one. A method for obtaining the particular solution is derived. Numerical tests on a VVER-1000 core are presented showing the impact of cross-section variations to some key parameters for reactor operation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Hourglass control in staggered-grid hydrodynamics using virtual element stabilization techniques

Numerical simulations using the staggered-grid hydrodynamics (SGH) discretization suffer from hourglass instabilities. In this work, we develop a stabilization method to suppress the hourglass instabilities using techniques from the virtual element method (VEM). The stiffness matrix of the VEM consists of two terms: the consistency matrix which is rank deficient and the stability matrix. Here, we first show that in two dimensions and on general polygons, the stiffness matrix of the SGH is identical to the consistency matrix of the linear VEM for both the diffusion equation and the linear elasticity equation. These analyses explain the origin of the hourglass instabilities of the SGH discretization method, and establish a theoretical foundation for our proposed stabilization method by augmenting the stiffness matrix of the SGH discretization using the VEM stability matrix. Then, we present numerical examples using Lagrangian SGH simulations. The numerical experiments demonstrate that the proposed VEM stabilization method is effective at eliminating hourglass modes in the SGH discretization.

97 MATHEMATICS AND COMPUTING↗

A new approach to model geomaterials with heterogeneous properties in thermo-hydro-mechanical coupled problems

The main objective of this article is to present a new approach to model coupled thermo-hydro-mechanical problems considering geomaterials with heterogeneous properties. This approach has been implemented in the software CODE_BRIGHT and it provides the possibility of considering geomaterials with a spatially correlated heterogeneous field of porosity, following a normal distribution. This spatial correlation can be isotropic or anisotropic. An important feature of this approach is that material properties such as intrinsic permeability, thermal conductivity, diffusivity, retention curve, elastic modulus or cohesion are defined as a function of porosity and, thus, they become heterogeneous with spatial correlation and, eventually, anisotropic. A validation exercise and other basic numerical examples have been carried out to illustrate the possibilities of the proposed approach. The results, which have been compared with a homogeneous case, show that considering heterogeneous fields can be relevant in different modelling problems, especially coupled thermo-hydro-mechanical problems.

42 ENGINEERING↗

Numerical method for boundary layers with blowing - The exponential box scheme

The paper describes a new numerical scheme based on exponential difference operator concepts combined with Keller's (1968) box scheme approach to produce a stable second-order accurate finite-difference scheme for convection-diffusion problems arising in boundary layer flows in the presence of massive injection through a porous surface. The technique is demonstrated by application to the self-similar boundary layer equations with massive blowing at the surface.

El-Mistikawy, T. M.↗

Semiconductor photoelectrochemistry

Semiconductor photoelectrochemical reactions are investigated. A model of the charge transport processes in the semiconductor, based on semiconductor device theory, is presented. It incorporates the nonlinear processes characterizing the diffusion and reaction of charge carriers in the semiconductor. The model is used to study conditions limiting useful energy conversion, specifically the saturation of current flow due to high light intensity. Numerical results describing charge distributions in the semiconductor and its effects on the electrolyte are obtained. Experimental results include: an estimate rate at which a semiconductor photoelectrode is capable of converting electromagnetic energy into chemical energy; the effect of cell temperature on the efficiency; a method for determining the point of zero zeta potential for macroscopic semiconductor samples; a technique using platinized titanium dioxide powders and ultraviolet radiation to produce chlorine, bromine, and iodine from solutions containing their respective ions; the photoelectrochemical properties of a class of layered compounds called transition metal thiophosphates; and a technique used to produce high conversion efficiency from laser radiation to chemical energy.

Buoncristiani, A. M.↗

Double-diffusive convection with sidewalls

Stommel et al. (1956) have first described an instability, known as thermosolutal convection, thermohaline convection, or double-diffusive convection. This instability may occur in the case of a fluid in a gravitational field with two diffusing components present. The present study is concerned with the effect of sidewalls on flow in the fingering regime in the absence of applied horizontal gradients. The work was motivated by numerical results obtained on the basis of a simulation of thermosolutal convection occurring during the unidirectional solidification of a binary alloy. In this case, the unperturbed solute field in the liquid ahead of the solidifying planar interface has an exponential vertical profile because of the rejection or preferential incorporation of solute by the solid phase.

Mcfadden, G. B.↗

Effects of impurities on silicon solar-cell performance

Model analyses indicate that sophisticated solar cell designs (back surface fields, optical reflectors, surface passivation, and double layer antireflective coatings) can produce devices with conversion efficiencies above 20%. To realize this potential, the quality of the silicon from which the cells are made must be improved; and these excellent electrical properties must be maintained during device processing. As the cell efficiency rises, the sensitivity to trace contaminants also increases. For example, the threshold Ti impurity concentraion at which cell performance degrades is more than an order of magnitude lower for an 18% cell than for a 16% cell. Similar behavior occurs for numerous other metal species which introduce deep level traps that stimulate the recombination of photogenerated carriers in silicon. Purification via crystal growth in conjunction with gettering steps to preserve the large diffusion length of the as grown material can lead to the production of devices with efficiencies above 18%, as verified experimentally.

Hopkins, R. H.↗

Scaling of the beam plasma discharge for low magnetic fields

A theoretical analysis of the scaling law and the value of the threshold current for beam plasma discharge (BPD) is presented, based on the requirement for an absolute instability near the plasma frequency. It is shown that both the scaling law as well as the numerical values of Ic are consistent with the experimental data, in the low pressure regimes and for weak magnetic field experiments if the dominant particle loss mechanism is due to Bohm diffusion. The implications of the findings to electron injection in space are discussed.

Papadopoulos, K.↗

Impurity effects in silicon for high efficiency solar cells

Model analyses indicate that sophisticated solar cell designs including, e.g., back surface fields, optical reflectors, surface passivation, and double layer antireflective coatings can produce devices with conversion efficiencies above 20 percent (AM1). To realize this potential, the quality of the silicon from which the cells are made must be improved; and these excellent electrical properties must be maintained during device processing. As the cell efficiency rises, the sensitivity to trace contaminants also increases. For example, the threshold Ti impurity concentration at which cell performance degrades is more than an order of magnitude lower for an 18-percent cell. Similar behavior occurs for numerous other metal species which introduce deep level traps that stimulate the recombination of photogenerated carriers in silicon. Purification via crystal growth in conjunction with gettering steps to preserve the large diffusion length of the as-grown material can lead to the production of devices with efficiencies aboved 18 percent, as has been verified experimentally.

Hopkins, R. H.↗

Thermochemical erosion

A quasi-steady multidimensional Stefan problem is treated by means of similarity, asymptotic methods, and numerical analysis. The continuous wearing away of a solid 'erodee' is effected by gradual consumption of a solid 'eroder'. In the process under study, the erodee melts and the (liquid) melt diffuses to the eroder, where an exothermic, indefinitely rapid, diffusion-controlled surface reaction occurs. The products of reaction convey some of the chemically-generated heat to the surface of the erodee, so that further melting may occur, and the process may proceed. The analysis seeks to estimate the quasi-steady rates of consumption of the erodee and eroder, for the (convenient) self-similar case of confocal parabolas defining the boundaries of the melt layer. The analysis is simplified by observing that the flow is of lubrication-theory type: creeping, primarily unidirectional motion owing to the thinness of the melt layer between the erodee and eroder, with diffusion of heat and mass predominantly perpendicular to the principal motion. The analysis is completed by consideration of the force balance on the eroder.

Butler, Gerald↗

Magnetic fields in the accretion disks of cataclysmic variables

The radial transport of magnetic flux in CV accretion disks is considered. Turbulent diffusion in a disk with finite outer radius Rd leads to decay of large-scale magnetic fields, as magnetic flux can leak out at the outer edge of the disk. Numerical computations of the decay rate and magnetic structure are presented. It is shown that the decay time is significantly shorter than the accretion time. Centrifugally driven winds may be possible from the outer parts of the disk, provided there exist efficient dynamo processes which regenerate the field.

Van Ballegooijen, A. A.↗