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At least 19 records

Space-Dependent Wielandt Shift Methods for Multigroup Diffusion Eigenvalue Problems

In the calculation of neutronic eigenfunctions and eigenvalues, it is often desirable to approximate the neutron transport equation by a diffusion equation that requires significantly less computational resources to solve. Even when a full transport solution is needed, the solution of the diffusion system can be used to accelerate iterative methods for calculating the transport eigenfunction and eigenvalue. The convergence rate of the basic power iteration method for eigenvalue problems is governed by the dominance ratio; realistic reactor core problems often have high dominance ratios and the power iteration method can converge slowly as a result. A common technique for accelerating the convergence of power iteration is the Wielandt shift (WS) method, which reduces the dominance ratio by 'shifting' the eigenvalue spectrum using an estimate of the desired eigenvalue. WS provides a significant speedup over power iteration if the eigenvalue estimate is close to the true eigenvalue, but it can be difficult to obtain such an estimate. In practice, the shift in the WS method can be dynamically updated in the iteration scheme, in a way that depends on the eigenvalue estimates from the most recent iterations. We present a physically-motivated Space-Dependent Wielandt Shift (SDWS) for solving multigroup diffusion eigenvalue problems. The space-dependence of the eigenvalue shift in SDWS enables a more effective acceleration of the power iteration scheme than WS at the beginning of the iteration scheme, when the current estimate of the eigenvalue is not close to the actual eigenvalue. Several variants of SDWS are discussed here, including an SDWS method that combines the strengths of SDWS (in the early iterations) with those of standard WS (in the later iterations). Numerical results from a 1-D multigroup diffusion problem demonstrate an order of magnitude speedup over power iteration and a 41% speedup over a standard WS technique. This speedup is problem-dependent and appears to be greater for 'more difficult' problems. In this summary, the term 'speedup' refers to a reduction in the number of iterations required to converge to the correct eigenvalue and eigenfunction. Because the scattering is treated fully implicitly (i.e., it is part of the left-hand side of the diffusion system and directly inverted), the computational cost of a single iteration does not vary significantly among the methods discussed in this summary. The number of iterations is therefore representative of the total computational cost for a method. We acknowledge that certain iterative solvers for linear systems (e.g., GMRES) require more computational time to converge when the system is nearly singular (i.e., when a very aggressive Wielandt shift is applied). Nonetheless, when using SDWS in the manner described in this summary, we have seen that the reduction in computational time from reducing the number of power iterations generally outweighs the extra computational time required by iterative solvers such as GMRES. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Space-Dependent Wielandt Shifts for Multigroup Diffusion Eigenvalue Problems

We present a new concept—the space-dependent Wielandt shift (SDWS)—for accelerating the convergence of the power iteration (PI) scheme for multigroup diffusion k-eigenvalue problems. The SDWS improves on standard Wielandt shift (WS) techniques, which are empirical in nature and are typically effective only when the current estimate of the solution is reasonably converged. By accounting for the physics of the problem through SDWS, we are able to improve the acceleration for the initial iterates when the current estimate of the solution is not close to convergence. Numerical results from one-dimensional problems suggest that, compared to standard WS techniques, the new SDWS techniques can provide upward of a 46% reduction in the number of PIs required for convergence and a 40% reduction in the computational time required. This improvement is sensitive to several problem-dependent factors, such as the geometry and energy-dependence of the problem, the spatial discretization, and the initial guess. The reduction in computational time is also dependent on the linear solver in the PI scheme, as it is well known that WSs can significantly worsen the conditioning of the diffusion linear system. In this paper, we provide a detailed study of the impact of WSs on the performance of several iterative linear solvers. Results from our implementation of SDWS in the three-dimensional (3D) code MPACT show that SDWS can provide similar speedups for 3D multigroup diffusion eigenvalue problems. These results also show that moderate speedups can be obtained by applying SDWS to the coarse mesh finite difference (CMFD) solver in a CMFD-accelerated transport scheme. However, the benefit of doing this may be limited because all but the first few CMFD solves are relatively easy to converge, regardless of the WS used.

Nuclear Science & Technology↗

The Parareal Method for Solving Space-Dependent Neutron Kinetics Equations in Hexagonal-z Geometry

Neutron kinetics plays an important role in reactor safety and analysis. The backward Euler method is the most widely used time integration method in the calculation of space-dependent nuclear reactor kinetics. Xia (2006) used this method to discretize the derivative of flux, and adopted the analytic integration to discretize the delayed neutron precursor concentrations. Diagonally Implicit Runge-Kutta (DIRK) method owns high accuracy and excellent stability, and it was applied in the rectangle core for calculating core the nuclear reactor kinetics by Wenbo Zhao (2013). Recently, DIRK was applied to the neutron kinetics for hexagonal-z geometry application (CAI, 2016). As solving the neutron kinetics equations is very time-consuming and the number of available cores continues to increase with parallel architectures evolving, parallel algorithms need to be designed in order to effectively utilize the available resources. However, it is difficult to parallel in time axis because the later moment is strongly dependent on the previous moment. Some methods have been proposed to parallel in time algorithm over the last decades. One of the famous methods to realize time parallelism is the Parareal algorithm (Lions, 2001), which offers a promising approach to increase the degree of concurrency. More than one decade from this method first proposed, this method has been studied and applied in the many fields of applied mathematics, physics, chemistry, parallel computing, etc. Fischer (2014 applied the Parareal method in the field of the Navier-Stokes Equations. Baudron (2014) combined the Parareal method with finite element method to solve the neutron kinetics equations, where the Parareal method was implemented based on the implicit Euler method or method. In this paper, the Parareal method is studied in the hexagonal-z geometry with the help of DIRK developed for neutron kinetics equations (CAI, 2016)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Space-Dependent Calculation of the Multiplicity Moments for Shells With the Inclusion of Scattering

In recent work, we extended the methodology of multiplicity counting in nuclear safeguards by elaborating the one-speed stochastic transport theory of the calculation of the so-called multiplicity moments, i.e., the factorial moments of the number of neutrons emitted from a fissile item, following a source event from an internal neutron source [spontaneous fission and (α; n) reactions]. Calculations were made for solid spheres and cylinders, with the source being homogeneously distributed within the item. Recent measurements of the Rocky Flats Shells during the Measurement of Uranium Subcritical and Critical (MUSIC) campaign conducted by Los Alamos National Laboratory and assisted by the University of Michigan inspired us to extend the model to spherical shell geometry with a point source in the middle of the central cavity. Comparison of the calculated results with the experimental ones indicated that accounting for fission as the only neutron reaction (the standard procedure in the point model, adapted also in our work so far) was not sufficient for reaching good agreement with measurements. The model was therefore extended to include elastic scattering into the one speed formalism, whereas the effect of inelastic scattering was accounted for in an empirical way. After these extensions, good agreement was found between the calculated and the measured values. The paper describes the extension of the theory and provides concrete quantitative results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Space dependent, full orbit effects on runaway electron dynamics in tokamak plasmas

The dynamics of RE (runaway electrons) in fusion plasmas span a wide range of temporal scales, from the fast gyro-motion, ∼10−11 s, to the observational time scales, ∼10−2→1 s. To cope with this scale separation, RE are usually studied within the bounce-average or the guiding center approximations. Although these approximations have yielded valuable insights, a study with predictive capabilities of RE in fusion plasmas calls for the incorporation of full orbit effects in configuration space in the presence of three-dimensional magnetic fields. We present numerical results on this problem using the Kinetic Orbit Runaway electrons Code that follows relativistic electrons in general electric and magnetic fields under the full Lorentz force, collisions, and radiation losses. At relativistic energies, the main energy loss is due to radiation damping, which we incorporate using the Landau-Lifshitz formulation of the Abraham-Lorentz-Dirac force. The main focus is on full orbit effects on synchrotron radiation. It is shown that even in the absence of magnetic field stochasticty, neglecting orbit dynamics can introduce significant errors in the computation of the total radiated power and the synchrotron spectra. The statistics of collisionless (i.e., full orbit induced) pitch angle dispersion, and its key role played on synchrotron radiation, are studied in detail. Numerical results are also presented on the pitch angle dependence of the spatial confinement of RE and on full orbit effects on the competition of electric field acceleration and radiation damping. Finally, full orbit calculations are used to explore the limitations of gyro-averaging in the relativistic regime. To explore the practical impact of the results, DIII-D and ITER-like parameters are used in the simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Engineering Nanoscale Thermal Transport: Size- and Spacing-Dependent Cooling of Nanostructures

Nanoscale thermal transport is becoming ever more technologically important with the development of next-generation nanoelectronics, nanomediated thermal therapies, and high efficiency thermoelectric devices. However, direct experimental measurements of nondiffusive heat flow in nanoscale systems are challenging, and first-principle models of real geometries are not yet computationally feasible. In recent work, we used ultrafast pulses of short-wavelength light to uncover a previously-unobserved regime of nanoscale thermal transport that occurs when the width and separation of heat sources are comparable to the mean free paths of the dominant heat-carrying phonons in the substrate. We now systematically compare thermal transport from gratings of metallic nanolines with different periodicities, on both silicon and fused-silica substrates, to map the entire nanoscale thermal transport landscape – from closely spaced through increasingly isolated to fully isolated heat-transfer regimes. By monitoring the surface profile dynamics with subangstrom sensitivity, we directly measure thermal transport from the nanolines into the substrate. This allows us to quantify for the first time how the nanoline separation significantly impacts thermal transport into the substrate, making it possible to reach efficiencies that are within a factor of 2 of the diffusive (i.e., thin-film) limit. We also show that partially isolated nanolines perform significantly worse, because cooling occurs in a regime that is intermediate between close-packed and fully isolated heat sources. This work thus confirms the surprising prediction that closely spaced nanoscale heat sources can cool more quickly than when far apart. In conclusion, these results show that our predictive model is validated by experiment over a broad parameter space, which is important for benchmarking theories that go beyond the Fourier model of heat diffusion, and for informed design of nanoengineered systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Space-dependent calculation of the multiplicity moments for shells

In earlier work, we extended the methodology of multiplicity counting in nuclear safeguards, by elaborating the one-speed stochastic transport theory of the calculation of the so-called multiplicity moments, i.e. the factorial moments of the number of neutrons emitted from a fissile item, following a source event from an internal neutron source (spontaneous fission and (α, n) reactions). Calculations were made for spheres and cylinders of various shapes. In all our work so far, the material of the items was homogeneous, and the distribution of the internal source was assumed to be uniformly distributed within the item, with the neutron emission assumed to be isotropic. In the present work the calculations are extended to the case of a point source inside either a solid sphere or in a spherical shell. This necessitates the extension of the theory to non-homogeneous items and non-uniform and non-isotropic sources. This work describes the extension of the theory and provides some quantitative results. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Space-time dependent thermal conductivity in nonlocal thermal transport

Nonlocal thermal transport is generally described by the Peierls-Boltzmann transport equation (PBE). However, solving the PBE for a general space-time dependent problem remains a challenging task due to the high dimensionality of the integro-differential equation. In this work, we present a direct solution to the space-time dependent PBE with a linearized collision matrix using an eigendecomposition method. We show that there exists a generalized Fourier-type relation that links heat flux to the local temperature, and this constitutive relation defines a thermal conductivity that depends on both time and space. Combining this approach with ab initio calculations of phonon properties, we demonstrate that the space-time dependent thermal conductivity gives rise to an oscillatory response in temperature in a transient grating geometry in high thermal conductivity materials. The present solution method allows us to extend the reach of our computational capability for heat conduction to space-time dependent nondiffusive transport regimes. Here, this capability will not only enable a more accurate interpretation of thermal measurements that observe nonlocal thermal transport, but also enhance our physical understanding of nonlocal thermal transport in high thermal conductivity materials that are promising candidates for nanoscale thermal management applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Integrable coupled Liénard-type systems with balanced loss and gain

A Hamiltonian formulation of generic many-particle systems with space-dependent balanced loss and gain coefficients is presented. It is shown that the balancing of loss and gain necessarily occurs in a pair-wise fashion. Further, using a suitable choice of co-ordinates, the Hamiltonian can always be reformulated as a many-particle system in the background of a pseudo-Euclidean metric and subjected to an analogous inhomogeneous magnetic field with a functional form that is identical with space-dependent loss/gain co-efficient. The resulting equations of motion from the Hamiltonian are a system of coupled Liénard-type differential equations. Partially integrable systems are obtained for two distinct cases, namely, systems with (i) translational symmetry or (ii) rotational invariance in a pseudo-Euclidean space. A total number of m+1 integrals of motion are constructed for a system of 2m particles, which are in involution, implying that two-particle systems are completely integrable. A few exact solutions for both the cases are presented for specific choices of the potential and space-dependent gain/loss co-efficients, which include periodic stable solutions. Quantization of the system is discussed with the construction of the integrals of motion for specific choices of the potential and gain–loss coefficients. A few quasi-exactly solvable models admitting bound states in appropriate Stoke wedges are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-Dependent Complete Active Space Embedded in Polarizable Force Field

Electron correlation and environmental effects play important roles in electron dynamics and spectroscopic observables of chemical systems in condensed phase. In this paper, we present a time-dependent complete active space configuration interaction (TD-CASCI) approach embedded in a polaraizable force filed, MMPol. The present implementation of TD-CASCI/MMPol utilizes a direct matrix-vector contraction, allowing studies of large systems. This scheme is used to study the solvatochromic shift of coumarin 153 in methanol. The TD-CASCI/MMPol approach captures the double excitation character in the excited state wave function and accurately predicts the solvatochromic red-shift of coumarin 153 dye within the experimental range, outperforming linear response time-dependent density functional theory. The effect of using different reference orbitals for the TD-CASCI/MMPol simulation is also investigated, highlighting the need for an unbiased treatment of all electronic states in the energy range of interest.

Liu, Hongbin↗

Finite element solution of MHD power-law fluid with slip velocity effect and non-uniform heat source/sink

The laminar steady boundary layer flow of an incompressible MHD Power-law fluid past a continuously moving surface is investigated numerically. The study involves the influence of surface slip and non-uniform heat source/sink on the flow and heat transfer. The governing boundary layer flow equations are transformed into non-dimensional, non-linear coupled ordinary differential equations with the help of suitable similarity transformations. The Galerkin finite element method is implemented to crack the resulting system. The impact of different involved physical parameters is exhibited on the dimensionless velocity profile, temperature distributions and rate of heat transfer in graphical and tabular forms for pseudoplastic and dilatant fluids. The local Nusselt number is found to be the decreasing function of slip parameter, temperature and space-dependent heat sink parameter whereas it increases with increasing values of temperature and space dependent heat source parameter. The problem has important application in attaining the sustainable heat transfer rate for the cooling of fluids, especially in heat exchangers used frequently in chemical industry, in order to increase the trustworthiness of a system, as it removes high heat loads from these systems.

97 MATHEMATICS AND COMPUTING↗

Validation of Thermal Scattering Laws for Light Water at Elevated Temperatures with Diffusion Experiments

Light water is the most important neutron moderator in many reactor applications. Thermal neutron scattering kernels for H bound in H 2 O are represented by ENDF-format thermal scattering laws (TSLs) evaluated at discrete temperatures T . Nuclear data evaluations are conventionally validated utilizing a combination of critical benchmarks and experimental cross section data. Existing public critical benchmarks may be inadequate for testing water TSLs over the full range of T of interest in reactor applications, and experimental thermal scattering cross section data for water is sparse at elevated T . In this work, MC21 is used to simulate the decay of the equilibrium thermal neutron flux in light-water spheres of several radii. The fundamental-mode time eigenvalue $\mathcal{a}$ is calculated at 22 °C and 227 °C (at saturation pressure) for each sphere using three different H-H 2 O TSLs. Fitting $\mathcal{a}$ to a polynomial function of geometric buckling allows calculation of the thermal neutron diffusion length L . Extrapolation lengths are treated as a function of the transport mean free path and geometry. Experimental L data from 25 publications at 49 temperatures (from 10 °C to 295 °C), computed by several different time-dependent and space-dependent decay methods, is used to develop an empirical fit of L vs. T . The MC21-calculated L for the TSLs tested are within ±1% of the predicted values at 22 °C and 227 °C. This validation approach, which may be repeated at arbitrary T , constitutes an integral benchmark specific to and characterizing the detailed physics of the thermal scattering kernel applied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Primordial non-Gaussianity from the effects of the Standard Model Higgs during reheating after inflation

We propose a new way of studying the Higgs potential at extremely high energies. The Standard Model (SM) Higgs boson, as a light spectator field during inflation in the early Universe, can acquire large field values from its quantum fluctuations which vary among different causal (Hubble) patches. Such a space dependence of the Higgs after the end of inflation leads to space-dependent SM particle masses and hence variable efficiency of reheating, when the inflaton decays to Higgsed SM particles. Inhomogeneous reheating results in (observable) temperature anisotropies. Further, the resulting temperature anisotropy spectrum acquires a significant non-Gaussian component, which is constrained by Planck observations of the Cosmic Microwave Background (CMB) and potentially detectable in next-generation experiments. Constraints on this non-Gaussian signal largely exclude the possibility of the observed temperature anisotropies arising primarily from Higgs effects. Hence, in principle, observational searches for non-Gaussianity in the CMB can be used to constrain the dynamics of the Higgs boson at very high (inflationary) energies.

79 ASTRONOMY AND ASTROPHYSICS↗

A new test statistic for climate models that includes field and spatial dependencies using Gaussian Markov random fields

Abstract. A new test statistic for climate model evaluation has been developed that potentially mitigates some of the limitations that exist for observing and representing field and space dependencies of climate phenomena. Traditionally such dependencies have been ignored when climate models have been evaluated against observational data, which makes it difficult to assess whether any given model is simulating observed climate for the right reasons. The new statistic uses Gaussian Markov random fields for estimating field and space dependencies within a first-order grid point neighborhood structure. We illustrate the ability of Gaussian Markov random fields to represent empirical estimates of field and space covariances using "witch hat" graphs. We further use the new statistic to evaluate the tropical response of a climate model (CAM3.1) to changes in two parameters important to its representation of cloud and precipitation physics. Overall, the inclusion of dependency information did not alter significantly the recognition of those regions of parameter space that best approximated observations. However, there were some qualitative differences in the shape of the response surface that suggest how such a measure could affect estimates of model uncertainty.

54 ENVIRONMENTAL SCIENCES↗

Regional Characteristics of Observable Foreshocks

Abstract Measures of foreshock occurrence are systematically examined using earthquake catalogs for eight regions (Italy, southern California, northern California, Costa Rica, Onshore Japan, Alaska, Turkey, and Greece) after imposing a magnitude ≥3.0 completeness level. Foreshocks are identified using three approaches: a magnitude-dependent space + fixed-time windowing method, a nearest-neighbor clustering method, and a modified magnitude-dependent space + variable-time windowing method. The method with fixed-time windows systematically yields higher counts of foreshocks than the other two clustering methods. We find similar counts of foreshocks across the three methods when the magnitude aperture is equalized by including only earthquakes in the magnitude range M*−2≤ M< M*, in which M* is the mainshock magnitude. For most of the catalogs (excluding Italy and southern California), the measured b-values of the foreshocks of all region-specific mainshocks are lower by 0.1–0.2 than b-values of respective aftershocks. Allowing for variable-time windows results in relatively high probabilities of having at least one foreshock in Italy (∼43%–56%), compared to other regional catalogs. Foreshock probabilities decrease to 14%–41% for regions such as Turkey, Greece, and Costa Rica. Similar trends are found when requiring at least five foreshocks in a sequence to be considered. Estimates of foreshock probabilities for each mainshock are method dependent; however, consistent regional trends exist regardless of method, with regions such as Italy and southern California producing more observable foreshocks than Turkey and Greece. Some regions with relatively high background seismicity have comparatively low probabilities of detectable foreshock activity when using methods that account for variable background, possibly due to depletion of near-failure fault conditions by background activity.

Geochemistry & Geophysics↗

A coupled rate theory-Monte Carlo model of helium bubble evolution in plasma-facing micro-engineered tungsten

A multiscale model of helium bubble evolution in plasma-facing materials is developed. The model links different stages of helium bubble evolution: deposition, nucleation, growth, motion, and coalescence. Helium deposition is simulated with the SRIM Monte Carlo program to give spatial information on helium and displacement damage distributions near the surface. This deposition profile is then introduced into a space-dependent rate theory of bubble nucleation and growth to describe the early stages of the distribution and size of helium bubbles. The coarsening stage of bubble evolution as a result of whole bubble motion, interaction, and coalescence is modeled by a new Object Kinetic Monte Carlo (OKMC) model, for which initial conditions are taken from the mean-field rate theory calculations. The model is compared to experimental data on low-energy helium plasma interaction with micro-engineered tungsten (W), and on high-energy helium ion deposition in flat W samples. Novel features of the multiscale model include: (1) space-dependent rate theory; (2) OKMC model of bubble motion in stress and temperature fields; and (3) application of the model to micro-engineered materials, and comparison with experiments on the same time-scale. At low helium ion energy, it is found that the mechanism of trap mutation is essential in achieving good agreement with experimental measurements. On the other hand, good agreement with experiments at high incident ion energy and temperature showed the importance of bubble coalescence and coarsening as main mechanisms. The results of the model are compared with experiments on flat W surfaces irradiated at high ion energy (30 keV), and with micro-engineered W, where the surface is coated with high-density micro-pillars at low ion energy (around 100 eV). The predicted average bubble radius and density are in qualitative agreement with experimental results.

36 MATERIALS SCIENCE↗