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At least 181 records · Page 10

Code-verification techniques for the method-of-moments implementation of the magnetic-field integral equation

For computational physics simulations, code verification plays a major role in establishing the credibility of the results by assessing the correctness of the implementation of the underlying numerical methods. In computational electromagnetics, surface integral equations, such as the method-of-moments implementation of the magnetic-field integral equation, are frequently used to solve Maxwell's equations on the surfaces of electromagnetic scatterers. These electromagnetic surface integral equations yield many code-verification challenges due to the various sources of numerical error and their possible interactions. In this paper, we provide approaches to separately measure the numerical errors arising from these different error sources. We demonstrate the effectiveness of these approaches for cases with and without coding errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

HTR-PROTEUS pebble bed experimental program cores 9 & 10: columnar hexagonal point-on-point packing with a 1:1 moderator-to-fuel pebble ratio

PROTEUS is a zero-power research reactor based on a cylindrical graphite annulus with a central cylindrical cavity. The graphite annulus remains basically the same for all experimental programs, but the contents of the central cavity are changed according to the type of reactor being investigated. Through most of its service history, PROTEUS has represented light-water reactors, but from 1992 to 1996 PROTEUS was configured as a pebble-bed reactor (PBR) critical facility and designated as HTR-PROTEUS. The nomenclature was used to indicate that this series consisted of High Temperature Reactor experiments performed in the PROTEUS assembly. During this period, seventeen critical configurations were assembled and various reactor physics experiments were conducted. These experiments included measurements of criticality, differential and integral control rod and safety rod worths, kinetics, reaction rates, water ingress effects, and small sample reactivity effects (Ref. 3). HTR-PROTEUS was constructed, and the experimental program was conducted, for the purpose of providing experimental benchmark data for assessment of reactor physics computer codes. Considerable effort was devoted to benchmark calculations as a part of the HTR-PROTEUS program. References 1 and 2 provide detailed data for use in constructing models for codes to be assessed. Reference 3 is a comprehensive summary of the HTR-PROTEUS experiments and the associated benchmark program. This document draws freely from these references. Only Cores 9 and 10 are evaluated in this benchmark report due to similarities in their construction. The other core configurations of the HTR-PROTEUS program are evaluated in their respective reports as outlined in Section 1.0. Cores 9 and 10 were evaluated and determined to be acceptable benchmark experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

HTR-Proteus Pebble Bed Experimental Program Cores 9 & 10: Columnar Hexagonal Point-on-Point Packing with a 1:1 Moderator-to-Fuel Pebble Ratio

PROTEUS is a zero-power research reactor based on a cylindrical graphite annulus with a central cylindrical cavity. The graphite annulus remains basically the same for all experimental programs, but the contents of the central cavity are changed according to the type of reactor being investigated. Through most of its service history, PROTEUS has represented light-water reactors, but from 1992 to 1996 PROTEUS was configured as a pebble-bed reactor (PBR) critical facility and designated as HTR-PROTEUS. The nomenclature was used to indicate that this series consisted of High Temperature Reactor experiments performed in the PROTEUS assembly. During this period, seventeen critical configurations were assembled and various reactor physics experiments were conducted. These experiments included measurements of criticality, differential and integral control rod and safety rod worths, kinetics, reaction rates, water ingress effects, and small sample reactivity effects (Ref. 3). HTR-PROTEUS was constructed, and the experimental program was conducted, for the purpose of providing experimental benchmark data for assessment of reactor physics computer codes. Considerable effort was devoted to benchmark calculations as a part of the HTR-PROTEUS program. References 1 and 2 provide detailed data for use in constructing models for codes to be assessed. Reference 3 is a comprehensive summary of the HTR-PROTEUS experiments and the associated benchmark program. This document draws freely from these references. Only Cores 9 and 10 are evaluated in this benchmark report due to similarities in their construction. The other core configurations of the HTR-PROTEUS program are evaluated in their respective reports as outlined in Section 1.0. Cores 9 and 10 were evaluated and determined to be acceptable benchmark experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

HTR-Proteus Pebble Bed Experimental Program Cores 5, 6, 7, & 8: Columnar Hexagonal Point-on-Point Packing with a 1:2 Moderator-to-Fuel Pebble Ratio

PROTEUS is a zero-power research reactor based on a cylindrical graphite annulus with a central cylindrical cavity. The graphite annulus remains basically the same for all experimental programs, but the contents of the central cavity are changed according to the type of reactor being investigated. Through most of its service history, PROTEUS has represented light-water reactors, but from 1992 to 1996 PROTEUS was configured as a pebble-bed reactor (PBR) critical facility and designated as HTR-PROTEUS. The nomenclature was used to indicate that this series consisted of High Temperature Reactor experiments performed in the PROTEUS assembly. During this period, seventeen critical configurations were assembled and various reactor physics experiments were conducted. These experiments included measurements of criticality, differential and integral control rod and safety rod worths, kinetics, reaction rates, water ingress effects, and small sample reactivity effects (Ref. 3). HTR-PROTEUS was constructed, and the experimental program was conducted, for the purpose of providing experimental benchmark data for assessment of reactor physics computer codes. Considerable effort was devoted to benchmark calculations as a part of the HTR-PROTEUS program. References 1 and 2 provide detailed data for use in constructing models for codes to be assessed. Reference 3 is a comprehensive summary of the HTR-PROTEUS experiments and the associated benchmark program. This document draws freely from these references. Only Cores 9 and 10 are evaluated in this benchmark report due to similarities in their construction. The other core configurations of the HTR-PROTEUS program are evaluated in their respective reports as outlined in Section 1.0. Cores 9 and 10 were evaluated and determined to be acceptable benchmark experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

HTR-Proteus Pebble Bed Experimental Program Cores 5,6,7,&8: Columnar Hexagonal Point-on-Point Packing with a 1:2 Moderator-to-Fuel Pebble Ratio

PROTEUS is a zero-power research reactor based on a cylindrical graphite annulus with a central cylindrical cavity. The graphite annulus remains basically the same for all experimental programs, but the contents of the central cavity are changed according to the type of reactor being investigated. Through most of its service history, PROTEUS has represented light-water reactors, but from 1992 to 1996 PROTEUS was configured as a pebble-bed reactor (PBR) critical facility and designated as HTR-PROTEUS. The nomenclature was used to indicate that this series consisted of High Temperature Reactor experiments performed in the PROTEUS assembly. During this period, seventeen critical configurations were assembled and various reactor physics experiments were conducted. These experiments included measurements of criticality, differential and integral control rod and safety rod worths, kinetics, reaction rates, water ingress effects, and small sample reactivity effects (Ref. 3). HTR-PROTEUS was constructed, and the experimental program was conducted, for the purpose of providing experimental benchmark data for assessment of reactor physics computer codes. Considerable effort was devoted to benchmark calculations as a part of the HTR-PROTEUS program. References 1 and 2 provide detailed data for use in constructing models for codes to be assessed. Reference 3 is a comprehensive summary of the HTR-PROTEUS experiments and the associated benchmark program. This document draws freely from these references. Only Cores 9 and 10 are evaluated in this benchmark report due to similarities in their construction. The other core configurations of the HTR-PROTEUS program are evaluated in their respective reports as outlined in Section 1.0. Cores 9 and 10 were evaluated and determined to be acceptable benchmark experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computational Investigation of Melt Pool Process Dynamics and Pore Formation in Laser Powder Bed Fusion

In the laser powder bed fusion additive manufacturing process, the presence of porosity may result in cracks and significantly affects the part performance. A comprehensive understanding of the melt pool process dynamics and porosity evolution can help to improve build quality. In this study, a novel multi-physics computational fluid dynamics (CFD) model has been applied to investigate the fluid dynamics in melt pools and resultant pore defects. To accurately capture the melting and solidification process, major process physics, such as the surface tension, evaporation as well as laser multi-reflection, have been considered in the model. A discrete element method is utilized to model the generation of powder spreading upon build plate by additional numerical simulations. Multiple single track experiments have been performed to obtain the melt pool shape and cross-sectional dimension information. The predicted melt pool dimensions were found to have a reasonable agreement with experimental measurements, e.g., the errors are in the range of 1.3 to 10.6% for melt pool width, while they are between 1.4 and 15.9% for melt depth. Pores are captured by both CFD simulation and x-ray computed tomography measurement for the case with a laser power of 350 W and laser speed of 100 mm/s. The formation of keyholes maybe related to the melt pool front wall angle, and it is found that the front wall angle increases with the increase in laser line energy density. In addition, a larger laser power or smaller scanning speed can help to generate keyhole-induced pores; they also contribute to produce larger sized pores.

36 MATERIALS SCIENCE↗

First principles modeling of microscopic scintillation mechanisms using a Many-Body Green’s function approach (Final Report)

In 2010, we started the first lifecycle of a project on first principles modeling of microscopic unit processes that occur during scintillation in order to bring about a capability of formulating physics-based reaction-diffusion models that can predict scintillator light yield and explain their non-proportional response to the energy of incident ionizing radiation, with the hope that this will accelerate materials discovery that can mitigate this problem. During the ensuing years we focused on investigating from first principles the elementary quantum mechanical processes leading to polaron formation and exciton self-trapping in scintillators and identify the microscopic pathways leading to their transport. The effort to derive the master equation for carrier and exciton transport in realistic scintillators materials from first principles constitutes a challenge that requires an extensive background in various areas of computational physics. Previous theoretical investigations involved significant approximations and were limited in their scope. Most notably, the standard workhorse of the computational material scientist, density-functional theory, fails in describing the localized nature of self-trapped carriers as well as the electronic structure of rare-earth dopants. Advances in both algorithms and computational resources however, have rendered a comprehensive and accurate approach feasible. This has been amply demonstrated by the results produced by us during the first lifecycle of this project, which impressed upon the reviewers of the Independent Project Review: “The Review Team agreed, and commented that ’amazing and excellent progress had been made to date.’ The researchers tried and did improve the technology to advance the state of the art and show that it was adequate for the project.” In the following, we detail the progress achieved during each year of the project. We conclude by a final section where all our main achievements are summarized.

36 MATERIALS SCIENCE↗

Verification of MOOSE/Bison's Heat Conduction Solver Using Combined Spatiotemporal Convergence Analysis

Bison is a computational physics code that uses the finite element method to model the thermo-mechanical response of nuclear fuel. Since Bison is used to inform high-consequence decisions, it is important that its computational results are reliable and predictive. One important step in assessing the reliability and predictive capabilities of a simulation tool is the verification process, which quantifies numerical errors in a discrete solution relative to the exact solution of the mathematical model. One step in the verification process—called code verification—ensures that the implemented numerical algorithm is a faithful representation of the underlying mathematical model, including partial differential or integral equations, initial and boundary conditions, and auxiliary relationships. In this paper, the code verification process is applied to spatiotemporal heat conduction problems in Bison. Simultaneous refinement of the discretization in space and time is employed to reveal any potential mistakes in the numerical algorithms for the interactions between the spatial and temporal components of the solution. For each verification problem, the correct spatial and temporal order of accuracy is demonstrated for both first- and second-order accurate finite elements and a variety of time-integration schemes. Furthermore, these results provide strong evidence that the Bison numerical algorithm for solving spatiotemporal problems reliably represents the underlying mathematical model in MOOSE. The selected test problems can also be used in other simulation tools that numerically solve for conduction or diffusion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Towards precise and accurate calculations of neutrinoless double-beta decay

We present the results of a National Science Foundation Project Scoping Workshop, the purpose of which was to assess the current status of calculations for the nuclear matrix elements governing neutrinoless double-beta decay and determine if more work on them is required. After reviewing important recent progress in the application of effective field theory, lattice quantum chromodynamics, and ab initio nuclear-structure theory to double-beta decay, we discuss the state of the art in nuclear-physics uncertainty quantification and then construct a roadmap for work in all these areas to fully complement the increasingly sensitive experiments in operation and under development. The roadmap includes specific projects in theoretical and computational physics as well as the use of Bayesian methods to quantify both intra- and inter-model uncertainties. Here, the goal of this ambitious program is a set of accurate and precise matrix elements, in all nuclei of interest to experimentalists, delivered together with carefully assessed uncertainties. Such calculations will allow crisp conclusions from the observation or non-observation of neutrinoless double-beta decay, no matter what new physics is at play.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

First saturation correction in high energy proton-nucleus collisions. Part I. Time evolution of classical Yang-Mills fields beyond leading order

In high energy proton-nucleus collisions, the single- and double-inclusive soft gluon productions at the leading order have been calculated and phenomenologically studied in various approaches for many years. These studies do not take into account the saturation and multiple rescatterings in the field of the proton. The first saturation correction to these leading order results (the terms that are enhanced by the combination \( {\alpha}_s^2{\mu}^2 \) , where μ 2 is the proton’s color charge squared per unit transverse area) has not been completely derived despite recent attempts using a diagrammatic approach. This paper is the first in a series of papers towards analytically completing the first saturation correction to physical observables in high energy proton-nucleus collisions. Our approach is to analytically solve the classical Yang-Mills equations in the dilute-dense regime using the Color Glass Condensate effective theory and compute physical observables constructed from classical gluon fields. In the current paper, the Yang-Mills equations are solved perturbatively in the field of the dilute object (the proton). Next-to-leading order and next-to-next-to-leading order analytic solutions are explicitly constructed. A systematic way to obtain all higher order analytic solutions is outlined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experience in using commercial clouds in CMS

Historically high energy physics computing has been performed on large purpose-built computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Stochastic Modeling in a Multimaterial Continuum Mixture Shock Physics Code

Stochastic modelling approaches are presented to capture random effects at multiple time and length scales. Random processes that occur at the microscale produce nondeterministic effects at the macroscale. Here we present three stochastic modeling approaches that describe random processes at microscopic length scales and map these processes to the macroscopic length scale. The first stochastic modeling approach is based upon a particle based numerical technique to solve a Stochastic Differential Equation (SDE) using an arbitrary diffusion process to capture random processes at the microstructural level. The second approach prescribes a Probability Density Function (PDF) for the drift and diffusion of the random variable derived using the forward and backward Kolmogorov equations. This method requires mean and drift evolution PDF transport equations. The third approach is the coupling of multiple random variables which are dependent on each other. The relationship of the PDFs and a coupling function, known as a copula, produces a Joint Probability Density Function (JPDF). These stochastic modeling approaches are implemented into a Multiple Component (MC) shock physics computational code and used to model statistical fracture and reactive flow applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Intelligent Computational Systems. Opening Remarks: CFD Application Process Workshop

This discussion will include a short review of the challenges that must be overcome if computational physics technology is to have a larger impact on the design cycles of U.S. aerospace companies. Some of the potential solutions to these challenges may come from the information sciences fields. A few examples of potential computational physics/information sciences synergy will be presented, as motivation and inspiration for the Improving The CFD Applications Process Workshop.

VanDalsem, William R.↗

Health Management Applications for International Space Station

Traditional mission and vehicle management involves teams of highly trained specialists monitoring vehicle status and crew activities, responding rapidly to any anomalies encountered during operations. These teams work from the Mission Control Center and have access to engineering support teams with specialized expertise in International Space Station (ISS) subsystems. Integrated System Health Management (ISHM) applications can significantly augment these capabilities by providing enhanced monitoring, prognostic and diagnostic tools for critical decision support and mission management. The Intelligent Systems Division of NASA Ames Research Center is developing many prototype applications using model-based reasoning, data mining and simulation, working with Mission Control through the ISHM Testbed and Prototypes Project. This paper will briefly describe information technology that supports current mission management practice, and will extend this to a vision for future mission control workflow incorporating new ISHM applications. It will describe ISHM applications currently under development at NASA and will define technical approaches for implementing our vision of future human exploration mission management incorporating artificial intelligence and distributed web service architectures using specific examples. Several prototypes are under development, each highlighting a different computational approach. The ISStrider application allows in-depth analysis of Caution and Warning (C&W) events by correlating real-time telemetry with the logical fault trees used to define off-nominal events. The application uses live telemetry data and the Livingstone diagnostic inference engine to display the specific parameters and fault trees that generated the C&W event, allowing a flight controller to identify the root cause of the event from thousands of possibilities by simply navigating animated fault tree models on their workstation. SimStation models the functional power flow for the ISS Electrical Power System and can predict power balance for nominal and off-nominal conditions. SimStation uses realtime telemetry data to keep detailed computational physics models synchronized with actual ISS power system state. In the event of failure, the application can then rapidly diagnose root cause, predict future resource levels and even correlate technical documents relevant to the specific failure. These advanced computational models will allow better insight and more precise control of ISS subsystems, increasing safety margins by speeding up anomaly resolution and reducing,engineering team effort and cost. This technology will make operating ISS more efficient and is directly applicable to next-generation exploration missions and Crew Exploration Vehicles.

Alena, Richard↗

Joint the Center for Applied Scientific Computing

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

97 MATHEMATICS AND COMPUTING↗

A Domain-Decomposed Multi-Level Method for Adaptively Refined Cartesian Grids with Embedded Boundaries

The work presents a new method for on-the-fly domain decomposition technique for mapping grids and solution algorithms to parallel machines, and is applicable to both shared-memory and message-passing architectures. It will be demonstrated on the Cray T3E, HP Exemplar, and SGI Origin 2000. Computing time has been secured on all these platforms. The decomposition technique is an outgrowth of techniques used in computational physics for simulations of N-body problems and the event horizons of black holes, and has not been previously used by the CFD community. Since the technique offers on-the-fly partitioning, it offers a substantial increase in flexibility for computing in heterogeneous environments, where the number of available processors may not be known at the time of job submission. In addition, since it is dynamic it permits the job to be repartitioned without global communication in cases where additional processors become available after the simulation has begun, or in cases where dynamic mesh adaptation changes the mesh size during the course of a simulation. The platform for this partitioning strategy is a completely new Cartesian Euler solver tarcreted at parallel machines which may be used in conjunction with Ames' "Cart3D" arbitrary geometry simulation package.

Aftosmis, M. J.↗

Standardized Definitions for Code Verification Test Problems

This document contains standardized definitions for several commonly used code verification test problems. These definitions are intended to contain sufficient information to set up the test problem in a computational physics code. These definitions are intended to be used in conjunction with exact solutions to these problems generated using Exact- Pack, www.github.com/lanl/exactpack.

97 MATHEMATICS AND COMPUTING↗