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At least 217 records · Page 12

A New Perspective for the Calibration of Computational Predictor Models.

This paper presents a framework for calibrating computational models using data from sev- eral and possibly dissimilar validation experiments. The offset between model predictions and observations, which might be caused by measurement noise, model-form uncertainty, and numerical error, drives the process by which uncertainty in the models parameters is characterized. The resulting description of uncertainty along with the computational model constitute a predictor model. Two types of predictor models are studied: Interval Predictor Models (IPMs) and Random Predictor Models (RPMs). IPMs use sets to characterize uncer- tainty, whereas RPMs use random vectors. The propagation of a set through a model makes the response an interval valued function of the state, whereas the propagation of a random vector yields a random process. Optimization-based strategies for calculating both types of predictor models are proposed. Whereas the formulations used to calculate IPMs target solutions leading to the interval value function of minimal spread containing all observations, those for RPMs seek to maximize the models' ability to reproduce the distribution of obser- vations. Regarding RPMs, we choose a structure for the random vector (i.e., the assignment of probability to points in the parameter space) solely dependent on the prediction error. As such, the probabilistic description of uncertainty is not a subjective assignment of belief, nor is it expected to asymptotically converge to a fixed value, but instead it is a description of the model's ability to reproduce the experimental data. This framework enables evaluating the spread and distribution of the predicted response of target applications depending on the same parameters beyond the validation domain (i.e., roll-up and extrapolation).

Crespo, Luis Guillermo↗

RELAP-7 Beta Release: Summary of Capabilities

RELAP-7 is a nuclear systems safety analysis code being developed at the Idaho National Laboratory (INL). Building upon the decades of software development at the INL, we began the development of RELAP-7 in 2011 to support the Risk Informed Safety Margins Characterization (RISMC) Pathway. As part of this development, the first lines of RELAP-7 code were committed to the software revision control repository on November 7th, 2011. The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in computer architecture, software design, numerical methods, and physical models in order to provide capabilities needed for the RISMC methodology and to support nuclear power safety analysis. RELAP-7 is built using the INL’s modern scientific software development framework, MOOSE (Multi-physics Object Oriented Simulation Environment). MOOSE provides improved numerical calculations (including higher-order integration in both space and time, yielding converged second-order accuracy). The RELAP-7 code structure is based on multiple physical component models such as pipes, junctions, pumps, etc. Each component can have options for different fluid models such as single- and two-phase flow. This component-based and physics-based software architecture allows RELAP-7 to adopt different physical models for different applications. A relatively new two-phase hydrodynamic model, termed the ''7-Equation model'' for two phasic pressures, velocities, energies, and volumetric fraction, is incorporated into RELAP-7 for liquid-gas (water-steam) flows. This new model allows second-order integration because it is well-posed, which will reduce the numerical error associated with traditional systems analysis codes. In this paper, we provide a RELAP-7 capability list describing analysis features, range of applicability, and reactor components that will be available for the December 15th, 2014 beta release of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A framework for WRF to WRF-IBM grid nesting to enable multiscale simulations

With advances in computational power, mesoscale models, such as the Weather Research and Forecasting (WRF) model, are often pushed to higher resolutions. As the model’s horizontal resolution is refined, the maximum resolved terrain slope will increase. Because WRF uses a terrain-following coordinate, this increase in resolved terrain slopes introduces additional grid skewness. At high resolutions and over complex terrain, this grid skewness can introduce large numerical errors that require methods, such as the immersed boundary method, to keep the model accurate and stable. Our implementation of the immersed boundary method in the WRF model, WRF-IBM, has proven effective at microscale simulations over complex terrain. WRF-IBM uses a non-conforming grid that extends beneath the model’s terrain. Boundary conditions at the immersed boundary, the terrain, are enforced by introducing a body force term to the governing equations at points directly beneath the immersed boundary. Nesting between a WRF parent grid and a WRF-IBM child grid requires a new framework for initialization and forcing of the child WRF-IBM grid. This framework will enable concurrent multi-scale simulations within the WRF model, improving the accuracy of high-resolution simulations and enabling simulations across a wide range of scales.

54 ENVIRONMENTAL SCIENCES↗

Consistent Feature Extraction From Vector Fields: Combinatorial Representations and Analysis Under Local Reference Frames

This dissertation presents research on addressing some of the contemporary challenges in the analysis of vector fields—an important type of scientific data useful for representing a multitude of physical phenomena, such as wind flow and ocean currents. In particular, new theories and computational frameworks to enable consistent feature extraction from vector fields are presented. One of the most fundamental challenges in the analysis of vector fields is that their features are defined with respect to reference frames. Unfortunately, there is no single “correct” reference frame for analysis, and an unsuitable frame may cause features of interest to remain undetected, thus creating serious physical consequences. This work develops new reference frames that enable extraction of localized features that other techniques and frames fail to detect. As a result, these reference frames objectify the notion of “correctness” of features for certain goals by revealing the phenomena of importance from the underlying data. An important consequence of using these local frames is that the analysis of unsteady (time-varying) vector fields can be reduced to the analysis of sequences of steady (timeindependent) vector fields, which can be performed using simpler and scalable techniques that allow better data management by accessing the data on a per-time-step basis. Nevertheless, the state-of-the-art analysis of steady vector fields is not robust, as most techniques are numerical in nature. The residing numerical errors can violate consistency with the underlying theory by breaching important fundamental laws, which may lead to serious physical consequences. This dissertation considers consistency as the most fundamental characteristic of computational analysis that must always be preserved, and presents a new discrete theory that uses combinatorial representations and algorithms to provide consistency guarantees during vector field analysis along with the uncertainty visualization of unavoidable discretization errors. Together, the two main contributions of this dissertation address two important concerns regarding feature extraction from scientific data: correctness and precision. The work presented here also opens new avenues for further research by exploring more-general reference frames and more-sophisticated domain discretizations.

97 MATHEMATICS AND COMPUTING↗

Comparison of Heat Flux Predictions over the Blottner Cylinder and Sphere

The prediction of heat flux over a sphere in hypersonic flow is an interesting and challenging problem. When using solutions to the Navier-Stokes equations to predict the heat flux, a common source of numerical error is a phenomenon known as 'grid imprinting'. Rather than the axisymmetric heat flux profile expected for a spherical surface, the topology of the grid can be seen in the surface heat flux distribution. We will examine the origin of this phenomenon; specifically the regions of the grid that contribute most. Comparisons will be made between second order finite volume and Discontinuous Galerkin (DG) results — the DG results will range from 2 nd to 4 th order. The Dual Weighted Residual (DWR) framework is used to obtain local error estimates for the heat flux integrated over the surface with respect to the grid for the DG results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Complex Representation of Potentials and Fields for the Nonlinear Magnetic Insert of the Integrable Optics Test Accelerator

An alternative representation for the vector potential of the nonlinear magnetic insert for the Integrable Optics Test Accelerator (IOTA), first described in Sec. V.A. of (Danilov and Nagaitsev), is determined from first principles using standard complex variable methods. In particular, it is shown that the coupled system consisting of the 2D Laplace equation and the Bertrand-Darboux equation is equivalent to a single ordinary differential equation in the complex plane, and a simple solution is constructed. The results are consistent with (Danilov and Nagaitsev), and this concise representation provides computational advantages for particle tracking through the nonlinear insert by avoiding numerical errors caused by small denominators that appear when evaluating transverse derivatives of the vector potential near the midplane. A similar representation is provided for the spatial dependence of the two invariants of motion.

43 PARTICLE ACCELERATORS↗

Implementation and Verification of Isolated Defects for GTS Lifecycle Analyses

Often, the presence of cracks in manufactured components are detrimental to their overall performance. We develop a workflow and tools in this report using CUBIT and Sierra/SM for generating and modeling crack defects to better understand their impact on such components. To this end, we provide a CUBIT library of various prototypical crack defects embedded in pipes and plates that can be readily used in a wide range of simulations, with specific application to those used in Gas Transfer Systems (GTS). We verify the accuracy of the J-integral post-processing capability in Sierra against solutions available in existing literature for the cracks and geometries of interest within the context of linear elastic fracture mechanics, and describe ongoing efforts to quantify and assess numerical errors. Through this process, we outline overall suggestions and recommendations to the user based on the proposed workflow.

97 MATHEMATICS AND COMPUTING↗

Code Verification of a Warm Electron Diode Using the EMPIRE Plasma Simulation Code.

This report documents recent code verification exercises for a warm electron diode problem using the EMPIRE plasma code. This computationally expensive test was performed three times, including two different code versions and two different time integration algorithms, and the resulting code responses were analyzed for convergence to the analytical solution and orders-of-convergence using the StREEQ numerical error estimation tool. Significant deviations from the exact solution and expected orders-of-convergence, as well as changes in code behavior over time and due to choice of time integration algorithm were observed, illustrating the need to fix fundamental code issues as well as additional code verification testing before the code can be relied upon to accurately solve critical problems within its application space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exactly and Easily Applying Experimental Boundary Conditions in Computational Structural Dynamics

Most experimental setups and environment specifications define acceleration loads on the component. However, Sierra Structural Dynamics cannot apply acceleration boundary conditions in modal transient analysis. Modal analysis of these systems and environments must be done through the application of a huge artificial force to a large fictitious point mass. Introducing a large mass into the analysis is a common source of numerical error. In this report we detail a mathematical procedure to directly apply acceleration boundary conditions in modal analyses without the requirement of adding a non-physical mass to the system. We prototype and demonstrate this procedure in Matlab and scope the work required to integrate this procedure into Sierra Structural Dynamics.

97 MATHEMATICS AND COMPUTING↗

Improvements to CTF Code Verification and Unit Testing (FY2020)

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays—Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Overview of Gemma FY2021 Verification Activities

Though the method-of-moments implementation of the electric-field integral equation plays an important role in computational electromagnetics, it provides many code-verification challenges due to the different sources of numerical error and their possible interactions. Matters are further complicated by singular integrals, which arise from the presence of a Green's function. In this report, we document our research to address these issues, as well as its implementation and testing in Gemma.

97 MATHEMATICS AND COMPUTING↗

A New Perspective for the Calibration of Computational Predictor Models

This paper presents a framework for calibrating computational models using data from several and possibly dissimilar validation experiments. The offset between model predictions and observations, which might be caused by measurement noise, model-form uncertainty, and numerical error, drives the process by which uncertainty in the models parameters is characterized. The resulting description of uncertainty along with the computational model constitute a predictor model. Two types of predictor models are studied: Interval Predictor Models (IPMs) and Random Predictor Models (RPMs). IPMs use sets to characterize uncertainty, whereas RPMs use random vectors. The propagation of a set through a model makes the response an interval valued function of the state, whereas the propagation of a random vector yields a random process. Optimization-based strategies for calculating both types of predictor models are proposed. Whereas the formulations used to calculate IPMs target solutions leading to the interval value function of minimal spread containing all observations, those for RPMs seek to maximize the models’ ability to reproduce the distribution of observations. Regarding RPMs, we choose a structure for the random vector (i.e., the assignment of probability to points in the parameter space) solely dependent on the prediction error. As such, the probabilistic description of uncertainty is not a subjective assignment of belief, nor is it expected to asymptotically converge to a fixed value, but instead it is a description of the model’s ability to reproduce the experimental data. This framework enables evaluating the spread and distribution of the predicted response of target applications depending on the same parameters beyond the validation domain (i.e., roll-up and extrapolation).

42 ENGINEERING↗

FY20 Improvements to CTF Code Verification and Unit Testing

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays–Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Towards Predictive Reacting Flow LES

Grid dependency and the interaction of numerical errors with those from physical models can negatively impact the predictive capabilities of the traditional large eddy simulation (LES) approach. This paper attempts to address these issues for the simulation of turbulent reacting flows, where the canonical problem of a temporally evolving reacting jet is used as a test case. The impact of implicit and explicit filtering of the governing system of equations, and the impact of removing grid dependency from physical models through application of a constant filter width, is assessed. Four different grid resolutions are employed in the study. Differences are experienced in mean velocity and temperature profiles with grid resolution refinement when using the traditional implicit filtering approach, demonstrating the grid dependency of the obtained solutions. These differences are substantially mitigated by fixing the filter width used in physical models to a constant value, as the grid resolution is refined. Explicit filtering utilizing discrete filters reduces these differences even further, but to a smaller degree. This latter improvement comes at a very substantial computational cost. Higher Reynolds number cases need to be studied, where the LES resolution is far from that of a DNS, in order for a more conclusive assessment of the benefit of the explicit filtering approach to be made. However, even if explicit filtering is found to have a large positive impact on the predictive capabilities of reacting flow LES, its computational cost is likely to prevent it from being routinely applied to large, complex geometries, at least for the case where discrete filters are used.

Cocks, Peter A.↗

Editorial: Resolving atmospheric flow in complex environments: recent experiments in terrain and forest canopies

The characterization of atmospheric flows in complex environments, which may include steep terrain slopes and heterogeneous vegetation and/or forest cover, is a long-standing challenge in boundary-layer meteorology. Atmospheric observations are complicated by the presence of transient, terrain-induced flow features, forest-canopy-atmosphere interactions, and atmospheric stability effects, not to mention the logistical hurdles involved with instrument deployment, data analysis, and quality control. Furthermore, challenges in atmospheric modeling arise due to numerical errors associated with complex terrain flows, as well as reliance on simplified parameterizations for unresolved processes such as turbulent mixing and land-surface or forest-canopy-atmosphere interactions. These modeling challenges are exacerbated in the so-called “gray zone,” wherein features of interest have length scales that are similar to the model grid spacing, or when the principal flow layer is smaller than the grid spacing (e.g., slope flows).

54 ENVIRONMENTAL SCIENCES↗

Call for Participation: Collaborative Benchmarking of Functional-Structural Root Architecture Models. The Case of Root Water Uptake

Three-dimensional models of root growth, architecture and function are becoming important tools that aid the design of agricultural management schemes and the selection of beneficial root traits. However, while benchmarking is common in many disciplines that use numerical models, such as natural and engineering sciences, functional-structural root architecture models have never been systematically compared. The following reasons might induce disagreement between the simulation results of different models: different representation of root growth, sink term of root water and solute uptake and representation of the rhizosphere. Presently, the extent of discrepancies is unknown, and a framework for quantitatively comparing functional-structural root architecture models is required. We propose, in a first step, to define benchmarking scenarios that test individual components of complex models: root architecture, water flow in soil and water flow in roots. While the latter two will focus mainly on comparing numerical aspects, the root architectural models have to be compared at a conceptual level as they generally differ in process representation. Therefore, defining common inputs that allow recreating reference root systems in all models will be a key challenge. In a second step, benchmarking scenarios for the coupled problems are defined. We expect that the results of step 1 will enable us to better interpret differences found in step 2. This benchmarking will result in a better understanding of the different models and contribute toward improving them. Improved models will allow us to simulate various scenarios with greater confidence and avoid bugs, numerical errors or conceptual misunderstandings. This work will set a standard for future model development.

Plant Sciences↗

Photometric and spectroscopic footprint corrections in the SLOAN Digital Sky Survey’s 6th data release

We identify and correct numerous errors within the photometric and spectroscopic footprints (SFs) of the Sloan Digital Sky Survey’s (SDSS) 6th data release (DR6). Within the SDSS’s boundaries hundreds of millions of objects have been detected. Yet we present evidence that the boundaries themselves contain a significant number of mistakes that are being revealed for the first time within this paper. Left unaddressed, these can introduce systematic biases into galaxy clustering statistics. Using the DR6 Main Galaxy Sample (MGS) targets as tracers, we reveal inconsistencies between the photometric and SF definitions provided in the Catalog Archive Server (CAS), and the measurements of targets therein. First, we find that 19.7 deg{sup 2} of the DR6 photometric footprint are devoid of MGS targets. In volumes of radii 7 h{sup −1} Mpc, this can cause errors in the expected number of galaxies to exceed 60%. Second, we identify seven areas that were erroneously included or excluded from the SF. Moreover, the tiling algorithm that positioned spectroscopic fibers during and between DRs caused many areas along the edge of the SF to be significantly undersampled relative to the footprint’s interior. Through our corrections, we increase the completeness 2.2% by trimming 3.6% of the area from the existing SF. The sum total of these efforts has generated the most accurate description of the SDSS DR6 footprints ever created.

79 ASTRONOMY AND ASTROPHYSICS↗

A comparison of SPH artificial viscosities and their impact on the Keplerian disk

Hydrodynamical simulations of rotating disks play important roles in the field of astrophysical and planetary science. Smoothed particle hydrodynamics (SPH) has been widely used for such simulations. However, it has been known that when using SPH, a cold and thin Kepler disk breaks up due to the unwanted angular momentum transfer. Two possible reasons have been suggested for this breaking up of the disk; the artificial viscosity (AV) and the numerical error in the evaluation of pressure gradient in SPH. Which one is dominant is still unclear. In this paper, we investigate the reason for this rapid breaking up of the disk. We implemented most of the popular formulations of AV and switches, and measured the angular momentum transfer due to both AV and the error of SPH’s estimate of the pressure gradient. We found that the angular momentum transfer due to AV at the inner edge triggers the breaking up of the disk. We also found that the classical von Neumann–Richtmyer–Landshoff type AV with a high-order estimate for ∇⋅v can maintain the disk for ∼100 orbits even when used with the standard formulation of SPH.

79 ASTRONOMY AND ASTROPHYSICS↗