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At least 235 records · Page 13

Status of the AIAA Modeling and Simulation Format Standard

The current draft AIAA Standard for flight simulation models represents an on-going effort to improve the productivity of practitioners of the art of digital flight simulation (one of the original digital computer applications). This initial release provides the capability for the efficient representation and exchange of an aerodynamic model in full fidelity; the DAVE-ML format can be easily imported (with development of site-specific import tools) in an unambiguous way with automatic verification. An attractive feature of the standard is the ability to coexist with existing legacy software or tools. The draft Standard is currently limited in scope to static elements of dynamic flight simulations; however, these static elements represent the bulk of typical flight simulation mathematical models. It is already seeing application within U.S. and Australian government agencies in an effort to improve productivity and reduce model rehosting overhead. An existing tool allows import of DAVE-ML models into a popular simulation modeling and analysis tool, and other community-contributed tools and libraries can simplify the use of DAVE-ML compliant models at compile- or run-time of high-fidelity flight simulation.

Jackson, E. Bruce↗

Uncovering Where Compensating Errors Could Hide in ENDF/B-VIII.0

Unconstrained physics spaces between two or more nuclear data observables in a library occur when their values can be simultaneously adjusted without violating the uncertainties in either differential information or simulations of relevant integral experiments. Differential data are often too imprecise to fully bound all nuclear data observables of interest for application simulations. Integral data are simulated with combinations of nuclear data so that an error in one observable may be hidden by a counterbalancing error in another. In this manner compensating errors may lurk within nuclear data libraries and these errors have the potential to undermine the predictive power of neutron transport simulations, particularly in situations where there is no conclusive validation experiment that resembles the application of interest. The EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) developed a preliminary workflow to identify these unconstrained physics spaces by bringing together results from a large collection of integral experiments with their simulated counter-parts as well as differential information that have a one-to-one correspondence to nuclear data. This wealth of information is processed by machine learning tools for subsequent refinement by human experts. Here, we show how the EUCLID work-flow is executed by applying it first to 239 Pu and then to 9 Be nuclear data in ENDF/B-VIII.0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SCALE 6.2 Lattice Physics Performance Assessment

The US Nuclear Regulatory Commission relies on the lattice physics analysis capabilities of the SCALE code system to perform confirmatory licensing analyses. Either SCALE lattice physics code—TRITON/NEWT or Polaris—can be used to generate cross section data used by the PARCS nodal core simulator for full-core neutronics calculations. This report presents an assessment of the accuracy of SCALE lattice physics codes for preparation of lattice physics data that are used to support simulator codes such as the NRC’s PARCS, for UO 2 -mixed oxide (MOX)/Zr fueled light water reactor (LWR) analyses. Due to the nature of lattice physics calculations, critical reactor experiment benchmarks cannot be modeled in explicit detail in a lattice physics code. However, this limitation does not mean that these measurement data are not usable for lattice physics studies. Therefore, either geometry approximations or axial buckling must be implemented to determine the critical water height. These modeling limitations have led to development of a three-phase assessment strategy. In the first phase, selected critical experiment benchmarks are modeled using the SCALE 3D continuous-energy (CE) Monte Carlo (MC) code KENO, which is the most rigorous neutron transport method available in SCALE, with no approximations in the spatial, angle, or energy treatments. Biases and statistical uncertainties in quantities of interest such as k eff and pin power distributions are determined by comparing CE KENO results to experimental data. This first phase in the accuracy assessment is to demonstrate and establish the use of CE KENO as a reference solution for the second phase. In the second phase, 14 numerical test suites are used to compare SCALE lattice physics calculations with CE KENO as a reference solution. In the third phase, SCALE lattice physics depletion calculations are performed, and the spent fuel isotopic results are compared with available radiochemical assay measurements. Isotopic measurement comparisons provide quantitative assessment of isotopic density distribution predictions with the depletion models in SCALE lattice physics codes. This report documents results for all test suites. The assessment was performed using standard production techniques unless otherwise noted. Both TRITON/NEWT and Polaris exhibited acceptable accuracy for most test cases. For the few test cases in which acceptable accuracy criteria were not met, further code and data development are planned. The computer codes used in this assessment are as follows: SCALE 6.2 rev19189 (pre-release of 6.2.1) was used for CE KENO, TRITON/NEWT and Polaris (PWR only) calculations; SCALE 6.2.2 was used for Polaris calculations to address several updates in support of support boiling water reactor (BWR) lattice geometries. For this work, there is no difference between SCALE 6.2.1 and SCALE 6.2.2 beyond the inclusion of the Polaris BWR analysis capability; The ENDF/B-VII.1 continuous energy and 252 group libraries deployed in SCALE 6.2 were generated with AMPX 6.2 that is distributed with SCALE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Efficient Fourier transforms for transverse momentum dependent distributions

Hadron production at low transverse momenta in semi-inclusive deep inelastic scattering can be described by transverse momentum dependent (TMD) factorization. This formalism has also been widely used to study the Drell-Yan process and back-to-back hadron pair production in $e^+e^-$ collisions. These processes are the main ones for extractions of TMD parton distribution functions and TMD fragmentation functions, which encode important information about nucleon structure and hadronization. One of the most widely used TMD factorization formalism in phenomenology formulates TMD observables in coordinate $b_\perp$-space, the conjugate space of the transverse momentum. The Fourier transform from $b_\perp$-space back into transverse momentum space is sufficiently complicated due to oscillatory integrands that it requires a careful and computationally intensive numerical treatment in order to avoid potentially large numerical errors. Within the TMD formalism, the azimuthal angular dependence is analytically integrated and the two-dimensional $b_\perp$ integration reduces to a one-dimensional integration over the magnitude $b_\perp$. In this paper we develop a fast numerical Hankel transform algorithm for such a $b_\perp$-integration that improves the numerical accuracy of TMD calculations in all standard processes. Libraries for this algorithm are implemented in Python 2.7 and 3, C++, as well as FORTRAN77. All packages are made available open source.

97 MATHEMATICS AND COMPUTING↗

Low-Order Preconditioning for the High-Order Finite Element de Rham Complex

Here, we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in H 1 , H(curl), and H(div) and is based on combining a low-order discretization posed on a refined mesh with a high-order basis for Nédélec and Raviart–Thomas elements that makes use of the concept of polynomial histopolation (polynomial fitting using prescribed mean values over certain regions). This spectral equivalence, coupled with algebraic multigrid methods constructed using the low-order discretization, results in highly scalable matrix-free preconditioners for high-order finite element problems in the full de Rham complex. Additionally, a new lowest-order (piecewise constant) preconditioner is developed for high-order interior penalty discontinuous Galerkin (DG) discretizations, for which spectral equivalence results and convergence proofs for algebraic multigrid methods are provided. In all cases, the spectral equivalence results are independent of polynomial degree and mesh size; for DG methods, they are also independent of the penalty parameter. These new solvers are flexible and easy to use; any “black-box” preconditioner for low-order problems can be used to create an effective and efficient preconditioner for the corresponding high-order problem. A number of numerical experiments are presented, based on an implementation in the finite element library MFEM. A range of challenging three-dimensional problems are used to corroborate the theoretical properties and demonstrate the flexibility and scalability of the method.

97 MATHEMATICS AND COMPUTING↗

The Nuclear Data Interface (NDI) [Slides]

The Nuclear Data Interface (NDI) can be described as: Standardized methodology for accessing and manipulating nuclear data; An API that accesses nuclear data while hiding underlying details from the user; Created to enable codes to access nuclear data without knowledge of a specific library format, content, or location; Both a code and ASCII data format (just to be confusing); Not continuous energy (that’s what NDATK is for).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SCEPTRE 2.1 Quick Start Guide

This report provides a summary of notes for building and running the Sandia Computational Engine for Particle Transport for Radiation Effects (SCEPTRE) code. SCEPTRE is a general purpose C++ code for solving the Boltzmann transport equation in serial or parallel using unstructured spatial finite elements, multigroup energy treatment, and a variety of angular treatments including discrete ordinates and spherical harmonics. Either the first-order form of the Boltzmann equation or one of the second-order forms may be solved. SCEPTRE requires a small number of open-source Third Party Libraries (TPL) to be available, and example scripts for building these TPL's are provided. The TPL's needed by SCEPTRE are Trilinos, boost, and netcdf. SCEPTRE uses an autoconf build system, and a sample configure script is provided. Running the SCEPTRE code requires that the user provide a spatial finite-elements mesh in Exodus format and a cross section library in a format that will be described. SCEPTRE uses an xml-based input, and several examples will be provided.

97 MATHEMATICS AND COMPUTING↗

VTK-m User's' Guide (V.1.7)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.This book includes contributions from the VTK-m community including the VTK-m development team and the user community.

97 MATHEMATICS AND COMPUTING↗

Expanded Validation of Uranium Systems with the KENO Monte Carlo Codes and SCALE 6.2.4 [Slides]

There is likely a trend in bias for uranium-fueled systems as a function of spectrum, but probably not as a function of enrichment. Some enrichment trends appear, but are potentially the result of outlier experimental results; further investigation is needed where possible. There are good examples in this data of markedly different biases from different systems. Future work includes review and vetting for inclusion in the VALID library and analysis with TSUNAMI.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integrating the Design of Desalination Technologies into Produced Water Network Optimization

The oil and gas energy sector uses billions of gallons of water for hydraulic fracturing each year to extract oil and gas. The water injected into the ground for fracturing along with naturally occurring formation water from oil wells surfaces back in the form of produced water. Produced water can contain high concentrations of total dissolved solids and is unfit for reuse outside the oil and gas industry without desalination. In semi-arid shale plays, produced water desalination for beneficial reuse could play a crucial role in alleviating water shortages and addressing extreme drought conditions. In this poster we co-optimize the design and operation of desalination technologies along with operational decisions across produced water networks. A multi-period produced water network model with simplified split-fraction-based desalination nodes is developed. Rigorous steady-state desalination mathematical models based on mechanical vapor recompression are developed and embedded at the desalination sites in the network model. An optimal common design across all periods is ensured using global capacity constraints. The solution approach is demonstrated for multi-period planning problems on networks from the PARETO open-source library. Model formulation and challenges associated with scalability are discussed.

Naik, Sakshi↗

Integrating the Design of Desalination Technologies into Produced Water Network Optimization

The oil and gas energy sector uses billions of gallons of water for hydraulic fracturing each year to extract oil and gas. The water injected into the ground for fracturing along with naturally occur-ring formation water from the oil wells surfaces back in the form of produced water. Produced water can contain high concentrations of total dissolved solids and is unfit for reuse outside the oil and gas industry without desalination. In semi-arid shale plays, produced water desalination for beneficial reuse could play a crucial role in alleviating water shortages and addressing extreme drought conditions. In this paper we co-optimize the design and operation of desalination technologies along with operational decisions across produced water networks. A multi-period produced water network model with simplified split-fraction-based desalination nodes is developed. Rigorous steady-state desalination mathematical models based on mechanical vapor recompression are developed and embedded at the desalination sites in the network model. An optimal common design is ensured across all periods using global capacity constraints. The solution approach is demonstrated for multi-period planning problems on networks from the PARETO open-source library. Model formulation and challenges associated with scalability are discussed.

Naik, Sakshi↗

The Navajo Learning Network and the NASA Life Sciences/AFOSR Infrastructure Development Project

The NSF-funded Navajo Learning Network project, with help from NASA Life Sciences and AFOSR, enabled Dine College to take a giant leap forward technologically - in a way that could never had been possible had these projects been managed separately. The combination of these and other efforts created a network of over 500 computers located at ten sites across the Navajo reservation. Additionally, the college was able to install a modern telephone system which shares network data, and purchase a new higher education management system. The NASA Life Sciences funds further allowed the college library system to go online and become available to the entire campus community. NSF, NASA and AFOSR are committed to improving minority access to higher education opportunities and promoting faculty development and undergraduate research through infrastructure support and development. This project has begun to address critical inequalities in access to science, mathematics, engineering and technology for Navajo students and educators. As a result, Navajo K-12 education has been bolstered and Dine College will therefore better prepare students to transfer successfully to four-year institutions. Due to the integration of the NSF and NASA/AFOSR components of the project, a unified project report is appropriate.

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An implicit-in-time DPG formulation of the 1D1V Vlasov-Poisson equations

Efficient solution of the Vlasov equation, which can be up to six-dimensional, is key to the simulation of many difficult problems in plasma physics. The discontinuous Petrov-Galerkin (DPG) finite element methodology provides a framework for the development of stable (in the sense of Ladyzhenskaya–Babuška–Brezzi conditions) finite element formulations, with built-in mechanisms for adaptivity. While DPG has been studied extensively in the context of steady-state problems and to a lesser extent with space-time discretizations of transient problems, relatively little attention has been paid to time-marching approaches. In the present work, we study a first application of time-marching DPG to the Vlasov equation, using backward Euler for a Vlasov-Poisson discretization. We demonstrate adaptive mesh refinement for two problems: the two-stream instability problem, and a cold diode problem. Furthermore, we believe the present work is novel both in its application of unstructured adaptive mesh refinement (as opposed to block-structured adaptivity, which has been studied previously) in the context of Vlasov-Poisson, as well as in its application of DPG to the Vlasov-Poisson system. We also discuss extensive additions to the Camellia library in support of both the present formulation as well as extensions to higher dimensions, Maxwell equations, and space-time formulations.

97 MATHEMATICS AND COMPUTING↗

The MOOSE Thermal Hydraulics Module

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source object-oriented finite element framework written in C++ (Lindsay et al., 2022). The Thermal Hydraulics Module (THM) is an optional MOOSE physics module that provides capabilities for studying thermal hydraulic systems. Its core capability lies in assembling a network of coupled components, for instance, pipes, junctions, and valves. THM provides several new systems to MOOSE to enable and facilitate thermal hydraulic simulations, most notably the Components system, which provides a higher-level syntax to MOOSE’s lower-level objects. This system is extensible by the user, but the current library primarily includes components based on a one-dimensional, single-phase, variable-area, compressible flow model, as well as heat conduction.

42 ENGINEERING↗

Delta-Rice: A HDF5 Compression Plugin optimized for Digitized Detector Data

Delta-Rice is an HDF5 (The HDF Group et al., 2020) filter plugin that was developed to compress digitized detector signals recorded by the Nab experiment (Fry et al., 2019), a fundamental neutron physics experiment. This is a two-step process where incoming data is passed through a pre-processing filter and then compressed with Rice coding. A routine for determining the optimal pre-processing filter for a dataset is provided along with an example GPU deployment. When applied to data collected by the Nab data acquisition system, this method produced output files 29% their initial size, and was able to do so with an average read/write throughput in excess of 2 GB/s on a single CPU. Compared to the widely used Gzip compression routine, Delta-Rice reduces the file size by 33% more with over an order of magnitude increase in read/write throughput. Delta-Rice is available on CPU to users through the HDF5 library.

97 MATHEMATICS AND COMPUTING↗

TSL Nuclear Fuel Evaluations and Capabilities at NC State University [Slides]

This presentation discusses the purpose of this project which is to provide thermal scattering law (TSL) and cross section data to support advanced reactor modeling and criticality safety. The presentation also examines modeling and simulations, evaluation updates, and benchmark applications in connection with the project. In summation, new and updated uranium fuel evaluations have been submitted to the ENDF/B libraries. These include vital fuel materials U-metal, UC, UN, and UO 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NWGraph: A Library of Generic Graph Algorithms and Data Structures in C++20

The C++ Standard Library is a valuable collection of generic algorithms and data structures that improves the usability and reliability of C++ software. Graph algorithms and data structures are notably absent from the standard library, and previous attempts to fill this gap have not gained widespread adoption. With the new addition of ranges and concepts in C++20, the language has the mechanisms to cleanly support generic graph algorithms as operations on a range of ranges. This report presents NWGraph, a generic C++ graph library for expressing graph algorithms in a modern, composable, and extensible, aka generic, fashion.

97 MATHEMATICS AND COMPUTING↗