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A Lagrangian dual method for two-stage robust optimization with binary uncertainties

This report presents a new exact method to calculate worst-case parameter realizations in two-stage robust optimization problems with categorical or binary-valued uncertain data. Traditional exact algorithms for these problems, notably Benders decomposition and column-and-constraint generation, compute worst-case parameter realizations by solving mixed-integer bilinear optimization subproblems. However, their numerical solution can be computationally expensive not only due to their resulting large size after reformulating the bilinear terms, but also because decision-independent bounds on their variables are typically unknown. We propose an alternative Lagrangian dual method that circumvents these difficulties and is readily integrated in either algorithm. We specialize the method to problems where the binary parameters switch on or off constraints as these are commonly encountered in applications, and discuss extensions to problems that lack relatively complete recourse and to those with integer recourse. Numerical experiments provide evidence of significant computational improvements over existing methods.

42 ENGINEERING↗

Spatial Intermittency of Particle Distribution in Relativistic Plasma Turbulence

Abstract Relativistic magnetically dominated turbulence is an efficient engine for particle acceleration in a collisionless plasma. Ultrarelativistic particles accelerated by interactions with turbulent fluctuations form nonthermal power-law distribution functions in the momentum (or energy) space, f ( γ ) d γ ∝ γ − α d γ , where γ is the Lorenz factor. We argue that in addition to exhibiting non-Gaussian distributions over energies, particles energized by relativistic turbulence also become highly intermittent in space. Based on particle-in-cell numerical simulations and phenomenological modeling, we propose that the bulk plasma density has lognormal statistics, while the density of the accelerated particles, n , has a power-law distribution function, P ( n ) dn ∝ n − β dn . We argue that the scaling exponents are related as β ≈ α + 1, which is broadly consistent with numerical simulations. Non-space-filling, intermittent distributions of plasma density and energy fluctuations may have implications for plasma heating and for radiation produced by relativistic turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

A Numerical Investigation of Turbine Noise Source Hierarchy and Its Acoustic Transmission Characteristics

Understanding the relative importance of the various turbine noise generation mechanisms and the characteristics of the turbine acoustic transmission loss are essential ingredients in developing robust reduced-order models for predicting the turbine noise signature. A computationally based investigation has been undertaken to help guide the development of a turbine noise prediction capability that does not rely on empiricism. The investigation relies on highly detailed numerical simulations of the unsteady flowfield inside a modern high-pressure turbine (HPT). The simulations are developed using TURBO, which is an unsteady Reynolds-averaged Navier-Stokes (URANS) code capable of multi-stage simulations. The purpose of this study is twofold. First, to determine an estimate of the relative importance of the contributions to the coherent part of the acoustic signature of a turbine from the three potential sources of turbine noise generation, namely, blade-row viscous interaction, potential field interaction, and entropic source associated with the interaction of the blade rows with the temperature nonuniformities caused by the incomplete mixing of the hot fluid and the cooling flow. Second, to develop an understanding of the turbine acoustic transmission characteristics and to assess the applicability of existing empirical and analytical transmission loss models to realistic geometries and flow conditions for modern turbine designs. The investigation so far has concentrated on two simulations: (1) a single-stage HPT and (2) a two-stage HPT and the associated inter-turbine duct/strut segment. The simulations are designed to resolve up to the second harmonic of the blade passing frequency tone in accordance with accepted rules for second order solvers like TURBO. The calculations include blade and vane cooling flows and a radial profile of pressure and temperature at the turbine inlet. The calculation can be modified later to include the combustor pattern factor at the turbine inlet to include that contribution to turbine noise. We shall present preliminary analysis of the results obtained so far in order to assess the validity of such an approach and to seek feedback on improving the approach. This work addresses both Area 1 (Turbine Tone Noise) and Area 5 (Influence of the Turbine on Combustor Noise) topics.

VanZante, Dale↗

Atmospheric Chemical Transport Based on High Resolution Model- Derived Winds: A Case Study

Flight 10 of NASA's Subsonic Assessment (SASS) Ozone and Nitrogen Oxide Experiment (SONEX) extended southwest of Lajes, Azores. A variety of chemical signatures were encountered. These signatures are examined in detail, relating them to meteorological data from a high resolution numerical model having horizontal grid spacing of 30 and 90 km and 26 vertical levels. The meteorological output at hourly intervals is used to create backward trajectories from the locations of the chemical signatures. Four major categories of chemical signatures are discussed-stratospheric, lightning, continental pollution, and a transition layer. The strong stratospheric signal is encountered just south of the Azores in a region of depressed tropopause height. Three chemical signatures at different altitudes in the upper troposphere are attributed to lightning. Backward trajectories arriving at locations of these signatures are related to locations of cloud-to-ground lightning. Results show that the trajectories pass through regions of lightning 1-2 days earlier over the eastern Gulf of Mexico and off the southeast coast of the United States. The lowest leg of the flight exhibits a chemical signature consistent with continental pollution. Trajectories arriving at this signature are found to pass over the highly populated Northeast Corridor of the United States. Surface based pollution apparently is lofted to the altitudes of the trajectories by convective clouds along the East Coast that did not contain lightning. Finally, a chemical transition layer is described. Its chemical signature is intermediate to those of lightning and continental pollution. Trajectories arriving in this layer pass between the trajectories of the lightning and pollution signatures. Thus, they probably are impacted by both sources.

Hannan, John R.↗

Light hydrocarbon and noble gas migration as an analogue for potential CO 2 leakage: numerical simulations and field data from three hydrocarbon systems

Abstract Sites where anthropogenic CO 2 captured from industrial sources is stored in deep geological formations for climate change mitigation are required to show secure retention of the injected CO 2 . Monitoring, reporting, and verification (MRV) plans are needed to indicate that no CO 2 release has occurred. We explored the degree to which direct comparison between a surface anomaly and reservoir geochemistry using various geochemical parameters can be used for attribution. We used data collected on light hydrocarbons and noble gases throughout the sedimentary column at three CO 2 enhanced oil recovery (EOR) sites to understand the processes that may cause fluid evolution. Light hydrocarbon and noble gases were sampled from reservoirs, gas‐bearing intervals above reservoirs, and groundwater. Vertical profiles indicated that lighter components are relatively enriched during migration (i.e. chromatographic separation). Static and numerical models were designed to simulate episodic gas migration and geochemical alteration of these geochemical parameters from solubility and sorption. The effects of hydrocarbon solubility were minimal (Bernard ratio changes within 5.2%) although field data were within the range of expected alterations from sorption. Forward models of CO 2 migration and noble gas interactions showed that CO 2 stripping causes an enrichment of crustal noble gases. In areas where natural fluxes of CO 2 from depth are non‐existent, the occurrence of crustal noble gas signature may distinguish fugitive CO 2 from the reservoir from natural near‐surface sources, and could be considered to explain apparent fluid anomalies. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.

Anderson, Jacob↗

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Hubble Space Telescope Survey for Novae in M87. II. Snuffing out the Maximum Magnitude–Rate of Decline Relation for Novae as a Non-standard Candle, and a Prediction of the Existence of Ultrafast Novae

The extensive grid of numerical simulations of nova eruptions from the work of Yaron et al. first predicted that some classical novae might significantly deviate from the Maximum Magnitude–Rate of Decline (MMRD) relation, which purports to characterize novae as standard candles. Kasliwal et al. have announced the observational detection of a new class of faint, fast classical novae in the Andromeda galaxy. These objects deviate strongly from the MMRD relationship, as predicted by Yaron et al. Recently, Shara et al. reported the first detections of faint, fast novae in M87. These previously overlooked objects are as common in the giant elliptical galaxy M87 as they are in the giant spiral M31; they comprise about 40% of all classical nova eruptions and greatly increase the observational scatter in the MMRD relation. We use the extensive grid of the nova simulations of Yaron et al. to identify the underlying causes of the existence of faint, fast novae. These are systems that have accreted, and can thus eject, only very low-mass envelopes, of the order of 10{sup −7}–10{sup −8} M {sub ⊙}, on massive white dwarfs. Such binaries include, but are not limited to, the recurrent novae. These same models predict the existence of ultrafast novae that display decline times, t {sub 2,} to be as short as five hours. We outline a strategy for their future detection.

79 ASTRONOMY AND ASTROPHYSICS↗

Waveguide Modes in a Planar Graphene–Dielectric Thin-Layer Structure

Particular features of waveguide propagation of modes in a planar structure that consists of alternating layers of a dielectric and graphene are investigated. Within the effective-medium approximation, dispersion relations are obtained for symmetric and antisymmetric waveguide modes. Based on their numerical analysis, the frequency dependences of the propagation and decay constants, of the group and phase velocities, and of the energy flux carried by waveguide modes are constructed. The influence of the fraction of graphene in the structure on the behavior of waveguide modes is analyzed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Technical Evaluation Report for the NDMAS AGR-5/6/7 TRISO Irradiation Monitoring System

The Nuclear Data Management and Analysis System (NDMAS) manages irradiation experiment data collected under the Advanced Gas Reactor (AGR) Fuel Development and Qualification program within the Advanced Reactor Technologies Technology Development Office. The AGR-5/6/7 irradiation experiment combines the fifth, sixth, and seventh planned irradiation campaigns of the U.S. Department of Energy AGR Fuel Development and Qualification Program. These combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions (PNL-5245). Experimental irradiation measurements for this experiment (i.e., thermocouple temperature, gas flow rate, fission product release rate, gross gamma count, and Advanced Test Reactor (ATR) operational parameters) are captured automatically to the NDMAS database. Data derived from numerical simulation or other mathematical analyses (i.e., fast fluence, burnup, temperature, and fission product release to birth ratio) are captured to the database when provided by the researchers. The NDMAS database is a relational database accessed via structured query language and managed with Microsoft SQL Server. While select users can directly access the database, that is not the most convenient way to interact with the data. The NDMAS team constructs numerous tables that combine related datasets, and delivers those data to researchers via graphs and spreadsheets on a Microsoft SharePoint-based website. For the AGR-5/6/7 experimental data, a new subsite has been developed, along with a set of web pages. These pages will be used by members of fuel irradiation team for monitoring irradiation conditions according to specification (SPC-1749), by the physics modelers to access necessary model inputs, and by the nuclear engineering community to view and access data such as fuel temperatures, fission product release from capsules, and ATR operational parameters. The deliverable represented in this document is a SharePoint website containing tables of the AGR-5/6/7 measured and calculated data, graphs displaying the data, and links to source documents and references.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AGR-5/6/7 Irradiation Monitoring Web Site Design

The Nuclear Data Management and Analysis System (NDMAS) manages irradiation experiment data collected under the Advanced Gas Reactor (AGR) Fuel Development and Qualification program within the Advanced Reactor Technologies Technology Development Office. The AGR-5/6/7 irradiation experiment combines the fifth, sixth, and seventh planned irradiation campaigns of the U.S. Department of Energy AGR Fuel Development and Qualification Program. These combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions (PNL-5245). Experimental irradiation measurements for this experiment (i.e., thermocouple temperature, gas flow rate, fission product release rate, gross gamma count, and Advanced Test Reactor (ATR) operational parameters) are captured automatically to the NDMAS database. Data derived from numerical simulation or other mathematical analyses (i.e., fast fluence, burnup, temperature, and fission product release to birth ratio) are captured to the database when provided by the researchers. The NDMAS database is a relational database accessed via structured query language and managed with Microsoft SQL Server. While select users can directly access the database, that is not the most convenient way to interact with the data. The NDMAS team constructs numerous tables that combine related datasets, and delivers those data to researchers via graphs and spreadsheets on a Microsoft SharePoint-based website. For the AGR-5/6/7 experimental data, a new subsite has been developed, along with a set of web pages. These pages will be used by members of fuel irradiation team for monitoring irradiation conditions according to specification (SPC-1749), by the physics modelers to access necessary model inputs, and by the nuclear engineering community to view and access data such as fuel temperatures, fission product release from capsules, and ATR operational parameters. The deliverable represented in this document is a SharePoint website containing tables of the AGR-5/6/7 measured and calculated data, graphs displaying the data, and links to source documents and references.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Three-hair relations for rotating stars: Nonrelativistic limit

The gravitational field outside of astrophysical black holes is completely described by their mass and spin frequency, as expressed by the no-hair theorems. These theorems assume vacuum spacetimes, and thus they apply only to black holes and not to stars. Despite this, we analytically find that the gravitational potential of arbitrarily rapid, rigidly rotating stars can still be described completely by only their mass, spin angular momentum, and quadrupole moment. Although these results are obtained in the nonrelativistic limit (to leading order in a weak-field expansion of general relativity, GR), they are also consistent with fully relativistic numerical calculations of rotating neutron stars. This description of the gravitational potential outside the source in terms of just three quantities is approximately universal (independent of equation of state). Such universality may be used to break degeneracies in pulsar and future gravitational wave observations to extract more physics and test GR in the strong-field regime.

79 ASTRONOMY AND ASTROPHYSICS↗

Gaussian variational ansatz in the problem of anomalous sea waves: Comparison with direct numerical simulation

The nonlinear dynamics of an obliquely oriented wave packet on a sea surface is analyzed analytically and numerically for various initial parameters of the packet in relation to the problem of the so-called rogue waves. Within the Gaussian variational ansatz applied to the corresponding (1+2)-dimensional hyperbolic nonlinear Schrödinger equation (NLSE), a simplified Lagrangian system of differential equations is derived that describes the evolution of the coefficients of the real and imaginary quadratic forms appearing in the Gaussian. This model provides a semi-quantitative description of the process of nonlinear spatiotemporal focusing, which is one of the most probable mechanisms of rogue wave formation in random wave fields. The system of equations is integrated in quadratures, which allows one to better understand the qualitative differences between linear and nonlinear focusing regimes of a wave packet. Predictions of the Gaussian model are compared with the results of direct numerical simulation of fully nonlinear long-crested waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Relations between Shot Noise, Gain Bandwidth, and Saturation of Instabilities

There are numerous instabilities present in charged particle beams that undergo exponential growth and reach saturation. In various applications, such as free-electron lasers or micro-bunching light sources, achieving saturation is desirable. Conversely, there are applications where these instabilities are utilized as linear broad-band amplifiers for signals embedded in the charged beam. In the latter scenario, the saturation of an instability induces non-linear distortions in the imprinted signal, thereby limiting the useful range of such amplifiers. Accurate evaluation of these instabilities necessitates a complete and comprehensive modeling approach that includes shot noise within the beam. Unfortunately, such modeling is not always feasible or practical. In this paper, we introduce a methodology utilizing the frequency and bandwidth of the instability as key parameters. Through this, we derive an estimation for the range of linear instability growth. Our derivation is conducted in a model-independent manner, making it applicable to a broad spectrum of instabilities. To validate our approach, we employ established and thoroughly benchmarked simulations with a free electron laser (FEL) code as well as self-consistent 3-dimensional simulation of plasma-cascade instability using code SPACE.

43 PARTICLE ACCELERATORS↗

Numerical solution of compressible viscous flows

The presented review is concerned with the problem of calculating compressible viscous flows. Basic numerical considerations and problems associated with calculating viscous flows are examined and current numerical approaches toward the solution of the Navier-Stokes equations are discussed. It is pointed out that the numerical solution of the full time-dependent equations for turbulent flow is not practical with present computers. Therefore, turbulence effects must be accounted for by modeling. Developments related to turbulence modeling are described. In connection with a discussion of numerical methods for solving viscous flow equations, attention is given to numerical domains of dependence of typical explicit and implicit methods, the diffusion problem, the convection-diffusion problem, and the split-hybrid method.

Maccormack, R. W.↗

Modeling creep behavior of fiber composites

A micromechanical model for the creep behavior of fiber composites is developed based on a typical cell consisting of a fiber and the surrounding matrix. The fiber is assumed to be linearly elastic and the matrix nonlinearly viscous. The creep strain rate in the matrix is assumed to be a function of stress. The nominal stress-strain relations are derived in the form of differential equations which are solved numerically for off-axis specimens under uniaxial loading. A potential function and the associated effective stress and effective creep strain rates are introduced to simplify the orthotropic relations.

Chen, J. L.↗

Consistency relations for sharp features in the primordial spectra

We study the generation of sharp features in the primordial spectra within the framework of effective field theory of inflation, wherein curvature perturbations are the consequence of the dynamics of a single scalar degree of freedom. We identify two sources in the generation of features: rapid variations of the sound speed c{sub s} (at which curvature fluctuations propagate) and rapid variations of the expansion rate H during inflation. With this in mind, we propose a non-trivial relation linking these two quantities that allows us to study the generation of sharp features in realistic scenarios where features are the result of the simultaneous occurrence of these two sources. This relation depends on a single parameter with a value determined by the particular model (and its numerical input) responsible for the rapidly varying background. As a consequence, we find a one-parameter consistency relation between the shape and size of features in the bispectrum and features in the power spectrum. To substantiate this result, we discuss several examples of models for which this one-parameter relation (between c{sub s} and H) holds, including models in which features in the spectra are both sudden and resonant.

79 ASTRONOMY AND ASTROPHYSICS↗

Zeldovich pancakes in observational data are cold

The present day universe consists of galaxies, galaxy clusters, one-dimensional filaments and two-dimensional sheets or pancakes, all of which combine to form the cosmic web. The so called ''Zeldovich pancakes' are very difficult to observe, because their overdensity is only slightly greater than the average density of the universe. Falco et al. [1] presented a method to identify Zeldovich pancakes in observational data, and these were used as a tool for estimating the mass of galaxy clusters. Here we expand and refine that observational detection method. We study two pancakes on scales of 10 Mpc, identified from spectroscopically observed galaxies near the Coma cluster, and compare with twenty numerical pancakes.We find that the observed structures have velocity dispersions of about 100 km/sec, which is relatively low compared to typical groups and filaments. These velocity dispersions are consistent with those found for the numerical pancakes. We also confirm that the identified structures are in fact two-dimensional structures. Finally, we estimate the stellar to total mass of the observational pancakes to be 2 · 10{sup −4}, within one order of magnitude, which is smaller than that of clusters of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

A subdivision-stabilized B-spline mixed material point method

Subjected to external loadings, polymeric materials, e.g., biological tissues, hydrogels, and elastomers, may undergo extreme, nearly incompressible, (self-)contact deformations. For numerical modeling employing mesh-based techniques such as the finite element method (FEM), these deformations pose significant challenges due to large distortions in the deformed geometry, accuracy issues stemming from volumetric locking effects, and increased computational cost from complex contact searches. As an alternative to mesh-based methods, the material point method (MPM), a continuum-based particle technique, is gaining attention for its ability to handle extreme distortions and capture no-slip contact without added cost. For nearly incompressible material behaviors, while mixed formulations can address locking effects by treating displacements and pressure as independent fields, they can suffer from numerical instabilities close to the incompressibility limit due to the violation of the inf-sup condition, leading to inaccurate nodal pressure solutions. Here we propose an efficient and stable mixed B-spline material point method with highest achievable regularity for quasi-compressible polymeric materials. Using the two-scale relation of B-splines, we introduce a subdivision-stabilization for the two-field mixed MPM and obtain numerically stable, oscillation-free nodal solutions with equal-order interpolations with optimal regularity. Building on the Eulerian-Lagrangian nature of MPM, a previously-converged solution framework is adopted to mitigate issues related to cell-crossing and numerical fracture artifact present in standard MPM. We assess the stability and accuracy of the developed mixed MPM at large deformations for soft materials through the benchmark Cook’s membrane problem. Additionally, we test the robustness of the proposed MPM by modeling several examples, including the compression and indentation of a circular block into a quasi-compressible substrate and the twisting deformation of a rectangular block. The findings demonstrate the MPM’s capabilities for modeling practical soft material applications.

36 MATERIALS SCIENCE↗