Search NASA⌕ Search

SEARCH · Search NASA

Results for “test case”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Evaluating Implementations of the Immersed Boundary Method in the Weather Research and Forecasting Model

The terrain-following coordinate system used by many atmospheric models can cause numerical instabilities due to discretization errors as resolved terrain slopes increase and the grid becomes highly skewed. The immersed boundary (IB) method, which does not require the grid to conform to the terrain, has been shown to alleviate these errors, and has been used successfully for high-resolution atmospheric simulations over steep terrain, including vertical building surfaces. Since many previous applications of IB methods to atmospheric models have used very fine grid resolution (5 m or less), the present study seeks to evaluate IB method performance over a range of grid resolutions and aspect ratios. Two classes of IB algorithms, velocity reconstruction and shear stress reconstruction, are tested within the common framework of the Weather Research and Forecasting (WRF) Model. Performance is evaluated in two test cases, one with flat terrain and the other with the topography of Askervein Hill, both under neutrally stratified conditions. WRF-IB results are compared to similarity theory, observations, and native WRF results. Despite sensitivity to the location at which the IB intersects the model grid, the velocity reconstruction IB method shows consistent performance when used with a hybrid RANS/LES surface scheme. The shear stress reconstruction IB method is not sensitive to the grid intersection, but is less consistent and near-surface velocity errors can occur at coarse resolutions. This study represents an initial investigation of IB method variability across grid resolutions in WRF. Future work will focus on improving IB method performance at intermediate to coarse resolutions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Moving-Wave Implementation in WRF to Study the Impact of Surface Water Waves on the Atmospheric Boundary Layer

Abstract While numerous modeling studies have focused on the interaction of ocean surface waves with the atmospheric boundary layer, most employ idealized waves that are either monochromatic or synthetically generated from a theoretical wave spectrum, and the atmospheric solvers are typically incompressible. To study wind–wave coupling in real-world scenarios, a model that can simulate both realistic meteorological and wave conditions is necessary. In this paper we describe the implementation of a moving bottom boundary condition into the Weather Research and Forecasting Model for large-eddy simulation applications. We first describe the moving bottom boundary conditions within WRF’s pressure-based vertical coordinate system. We then validate our code with idealized test cases that have analytical solutions, including flow over a monochromatic wave with and without viscosity. Finally, we present results from turbulent flows over a moving monochromatic wave with different wave ages, and demonstrate satisfactory agreement of the wave growth rate with results from the literature. We also compare atmospheric stress and wind parameters from two physically equivalent cases. The first specifies a wind moving in the same direction as a propagating wave, while the second involves a stationary wave with the wind adjusted such that the wind relative to the wave is the same as in the first case. Results indicate that the velocity and Reynolds stress profiles for the two cases match, further validating the moving bottom implementation.

17 WIND ENERGY↗
DOE OSTI2019

Reverse-Mode Algorithmic Differentiation of an OpenMP-Parallel Compressible Flow Solver

y Reverse-mode algorithmic differentiation (AD) is an established method for obtaining adjoint derivatives of computer simulation applications. In computational fluid dynamics (CFD), adjoint derivatives of a cost function output such as drag or lift with respect to design parameters such as surface coordinates or geometry control points are a key ingredient for shape optimization, uncertainty quantification and flow control. The computational cost of CFD applications and their derivatives makes it essential to use high-performance computing hardware efficiently, including multi- and many-core architectures. Nevertheless, OpenMP is not supported in most AD tools, and previously shown methods achieve poor scalability of the derivative code. We present the AD of an OpenMP-parallelized finite volume compressible flow solver for unstructured meshes. Our approach enables us to reuse the parallelization of the original code in the computation of adjoint derivatives. The method works by identifying code segments that can be differentiated in reverse-mode without changing their memory access pattern. The OpenMP parallelization is integrated into the derivative code during the build process in a way that is robust to modifications of the original code and independent of the OpenMP support of the differentiation tool. We show the scalability of our adjoint CFD solver on test cases ranging from thousands to millions of finite volume mesh cells on CPUs with up to 16 threads as well as on an Intel XeonPhi card with 236 threads. We demonstrate that our approach is more practical to implement for production-sized CFD codes and produces more efficient adjoint derivative code than previously shown AD methods.

Huckelheim, Jan↗
DOE OSTI2023

An implicit barotropic mode solver for MPAS-ocean using a modern Fortran solver interface

Here, we demonstrate use of a modern Fortran solver interface to manage solver algorithms for an implicit barotropic mode solver in the Model for Predictions Across Scales-Ocean (MPAS-O). ForTrilinos, a Fortran interface to Trilinos that contains a large collection of solver capabilities written in C++, has been implemented in MPAS-O to provide access to a suite of linear solver options. By virtue of the simplified wrapper and interface generator (SWIG) automation tool that generates modern Fortran interfaces to C++ code, we were able to implement the Fortran solver interface in MPAS-O using a familiar Fortran coding style while minimizing performance degradation. The ForTrilinos solver interface is written within MPAS-O’s time stepping modules as a subroutine in conjunction with MPAS-O code. Applied to an idealized ocean and a high-resolution realistic ocean test case, parallel performance of ForTrilinos solvers is examined. It is found that parallel scalability of the ForTrilinos solvers is highly dependent on the number of global synchronization points per solver iteration in each iterative solver algorithm. ForTrilinos solvers perform best compared to the Fortran hand-crafted (FHC) solver when the amount of work per processor is large enough. However, parallel scalability is better with the FHC solver and so when the work per core is modest FHC outperforms ForTrilinos. The intercomparison between the ForTrilinos and FHC solvers reveals that this performance hit in the ForTrilinos solver mostly comes from the global synchronization process, while suggesting that the matrix-vector multiplication process in the FHC solver needs to be optimized for better performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

CAT: computer aided triage improving upon the Bayes risk through ε-refusal triage rules

Manual extraction of information from electronic pathology (epath) reports to populate the Surveillance, Epidemiology, and End Result (SEER) database is labor intensive. Systematizing the data extraction automatically using machine-learning (ML) and natural language processing (NLP) is desirable to reduce the human labor required to populate the SEER database and to improve the timeliness of the data. This enables scaling up registry efficiency and collection of new data elements. To ensure the integrity, quality, and continuity of the SEER data, the misclassification error of ML and NPL algorithms needs to be negligible. Current algorithms fail to achieve the precision of human experts who can bring additional information in their assessments. Differences in registry format and the desire to develop a common information extraction platform further complicate the ML/NLP tasks. The purpose of our study is to develop triage rules to partially automate registry workflow to improve the precision of the auto-extracted information. This paper presents a mathematical framework to improve the precision of a classifier beyond that of the Bayes classifier by selectively classifying item that are most likely to be correct. This results in a triage rule that only classifies a subset of the item. We characterize the optimal triage rule and demonstrate its usefulness in the problem of classifying cancer site from electronic pathology reports to achieve a desired precision. From the mathematical formalism, we propose a heuristic estimate for triage rule based on post-processing the soft-max output from standard machine learning algorithms. We show, in test cases, that the triage rule significantly improve the classification accuracy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Communication-Constrained Expansion Planning for Resilient Distribution Systems

Distributed generation and remotely controlled switches have emerged as important technologies to improve the resiliency of distribution grids against extreme weather-related disturbances. Therefore it becomes important to study how best to place them on the grid in order to meet a resiliency criteria, while minimizing costs and capturing their dependencies on the associated communication systems that sustain their distributed operations. This paper introduces the Optimal Resilient Design Problem for Distribution and Communication Systems (ORDPDC) to address this need. The ORDPDC is formulated as a two-stage stochastic mixed-integer program that captures the physical laws of distribution systems, the communication connectivity of the smart grid components, and a set of scenarios that specifies which components are affected by potential disasters. The paper proposes an exact branch-and-price algorithm for the ORDPDC that features a strong lower bound and a variety of acceleration schemes to address degeneracy. The ORDPDC model and branch-and-price algorithm were evaluated on a variety of test cases with varying disaster intensities and network topologies. The results demonstrate the significant impact of the network topologies on the expansion plans and costs, as well as the computational benefits of the proposed approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Convex Relaxations for Quadratic On/Off Constraints and Applications to Optimal Transmission Switching

This paper studies mixed-integer nonlinear programs featuring disjunctive constraints and trigonometric functions and presents a strengthened version of the convex quadratic relaxation of the optimal transmission switching problem. We first characterize the convex hull of univariate quadratic on/off constraints in the space of original variables using perspective functions. Next, we introduce new tight quadratic relaxations for trigonometric functions featuring variables with asymmetrical bounds. These results are used to further tighten recent convex relaxations introduced for the optimal transmission switching problem in power systems. Using the proposed improvements, along with bound propagation, on 23 medium-sized test cases in the PGLib benchmark library with a relaxation gap of more than 1%, we reduce the gap to less than 1% on five instances. The tightened model has promising computational results when compared with state-of-the-art formulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Reliability and availability requirements analysis for DEMO: fuel cycle system

The Demonstration Power Plant (DEMO) will be a fusion reactor prototype designed to demonstrate the capability to produce electrical power in a commercially acceptable way. Two of the key elements of the engineering development of the DEMO reactor are the definitions of reliability and availability requirements (or targets). The availability target for a hypothesized Fuel Cycle has been analysed as a test case. The analysis has been done on the basis of the experience gained in operating existing tokamak fusion reactors and developing the ITER design. Plant Breakdown Structure (PBS) and Functional Breakdown Structure (FBS) related to the DEMO Fuel Cycle and correlations between PBS and FBS have been identified. At first, a set of availability targets has been allocated to the various systems on the basis of their operating, protection and safety functions. 75% and 85% of availability has been allocated to the operating functions of fuelling system and tritium plant respectively. 99% of availability has been allocated to the overall systems in executing their safety functions. The chances of the systems to achieve the allocated targets have then been investigated through a Failure Mode and Effect Analysis and Reliability Block Diagram analysis. The following results have been obtained: 1) the target of 75% for the operations of the fuelling system looks reasonable, while the target of 85% for the operations of the whole tritium plant should be reduced to 80%, even though all the tritium plant systems can individually reach quite high availability targets, over 90% - 95%; 2) all the DEMO Fuel Cycle systems can reach the target of 99% in accomplishing their safety functions. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel - I. Theory

A new methodology has been developed to treat resonance self-shielding in doubly heterogeneous very high temperature gas-cooled reactor systems in which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. This new method first homogenizes the fuel grain and matrix materials using an analytically derived disadvantage factor from a two-region problem with equivalence theory and intermediate resonance method. This disadvantage factor accounts for spatial self-shielding effects inside each grain within the framework of an infinite array of grains. Then the homogenized fuel compact is self-shielded using a Bondarenko method to account for interactions between the fuel compact regions in the fuel lattice. In the final form of the equations for actual implementations, the double-heterogeneity effects are accounted for by simply using a modified definition of a background cross section, which includes geometry parameters and cross sections for both the grain and fuel compact regions. With the new method, the doubly heterogeneous resonance self-shielding effect can be treated easily even with legacy codes programmed only for a singly heterogeneous system by simple modifications in the background cross section for resonance integral interpolations. This paper presents a detailed derivation of the new method and a sensitivity study of double-heterogeneity parameters introduced during the derivation. The implementation of the method and verification results for various test cases are presented in the companion paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

An Implicit Correlation Method for Cross-Correlation Sampling, with MCNPX-PoliMi Validation

Monte Carlo particle transport codes used to model detector response are traditionally run in analog mode. However, analog simulations of cross-correlation measurements are extremely time-consuming because the probability of coincident detection is small, approximately equal to the product of the probabilities of a single detection in each detector. The new “implicit correlation” method described here increases the number of correlated event scores, thereby reducing variance and required computation times. The cost of the implicit correlation method is comparable to the cost of simulating single-event detection for the lowest absolute detector efficiency in the problem. The new method is especially useful in the nuclear nonproliferation and safeguards fields for simulating correlation measurements of shielded special nuclear material. The new method was implemented in MCNPX-PoliMi for neutron-neutron cross-correlations with a Cf-252 spontaneous fission source measured by 14 detectors at various angles. The method demonstrated good agreement with analog simulation and reference measurement results. Small differences between nonanalog and analog cross-correlation distributions are attributed to discretization errors that are often not present in practical applications. Improvement in the figure of merit was greater than a factor of 100 in all tested cases.

Marcath, Matthew J.↗
DOE OSTI2015

Optimal shielding design for minimum materials cost or mass

The mathematical underpinnings of cost optimal radiation shielding designs based on an extension of optimal control theory are presented, a heuristic algorithm to iteratively solve the resulting optimal design equations is suggested, and computational results for a simple test case are discussed. A typical radiation shielding design problem can have infinitely many solutions, all satisfying the problem's specified set of radiation attenuation requirements. Each such design has its own total materials cost. For a design to be optimal, no admissible change in its deployment of shielding materials can result in a lower cost. This applies in particular to very small changes, which can be restated using the calculus of variations as the Euler-Lagrange equations. Furthermore, the associated Hamiltonian function and application of Pontryagin's theorem lead to conditions for a shield to be optimal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

On the Steady Mechanical Response of a Heterogeneous Fuel Plate

Herein, an exact solution for a heterogeneous, discontinuous wide-beam is developed having three unique boundary conditions sets. These boundary condition sets were chosen based on their relevance to plate-type fueled reactors. This solution, with respective boundary condition sets contributes new insights to the field of engineering mechanics as applied within the nuclear engineering discipline. Herein, the exact solution is validated under a set of test cases. A comparison is then made against other relations that have been developed to provide similar engineering insights. Lastly, the solution is applied toward a presently relevant engineering problem regarding the design of a monolithic plate-type fuel. The outcome of this work provides a solution form for the computation of out-of-plane deflection of a heterogeneous, discontinuous wide-beam that can be easily applied in engineering mechanics and is flexible in use.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Coupling TRACE with nodal neutronics code Ants using the Exterior Communications Interface and VTT's multi-physics driver Cerberus

In this paper a recently developed coupling between system code TRACE and nodal neutronics code Ants is presented. The TRAC/RELAP Advanced Computational Engine (TRACE) is a reactor system code developed by U.S. Nuclear Regulatory Commission (NRC). The code has been designed to analyse loss-of-coolant accidents (LOCAs), operational transients and other accident scenarios in light water reactors. Ants is the reduced order nodal neutronics code of the Kraken framework. The diffusion solution method in Ants is based on the Analytic Function Expansion Nodal method (AFEN) and Flux Expansion Nodal Method (FENM). Rectangular, hexagonal and triangular geometries are supported. Both steady state and burnup problems including micro-depletion can be simulated. The coupling is implemented using VTT's multi-physics driver Cerberus and the Exterior Communications Interface (ECI) which is supplied with TRACE and enables the coupling of TRACE without source code modifications. The main focus in the paper is on describing the TRACE-Ants coupling in detail in order to share to other code developers what we have learned from the ECI based coupling process. The coupled code system is briefly tested by simulating a simple transient in a SMR core initiated by control rod movement. The results of the test calculation look reasonable and more complicated test cases will be modelled in the near future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Two-dimensional phase cartography for high-harmonic spectroscopy

Extremely nonlinear spectroscopy based on high-order-harmonic generation has become a powerful investigation method for attosecond dynamics in gas and solid targets. In particular, the phase of harmonic emission was shown to carry profound insight into atomic and molecular structure and dynamics. However, current techniques offer phase measurements only along specific directions, thus providing partial characterization. Here we report on a new approach combining optical and quantum interferometers measuring along two dimensions the intensity and phase of harmonic emission from aligned molecules in the exact same experimental conditions. This two-dimensional cartography technique measures the phase with no arbitrary offset and no uncertainty on its sign. Measurements along different dimensions can be combined in two ways: either a single mapping or a redundant mapping allowing high-precision phase recovery using a Shack–Hartmann-like algorithm. We demonstrate both methods in a nitrogen test case, which allows disentangling structural and dynamical effects. Two-dimensional phase cartography paves the way to high-resolution high-harmonic spectroscopy for applications such as quantum orbital tomography and attosecond charge migration in molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Genome-wide identification of bacterial plant colonization genes

Diverse soil-resident bacteria can contribute to plant growth and health, but the molecular mechanisms enabling them to effectively colonize their plant hosts remain poorly understood. We used randomly barcoded transposon mutagenesis sequencing (RB-TnSeq) in Pseudomonas simiae, a model root-colonizing bacterium, to establish a genome-wide map of bacterial genes required for colonization of the Arabidopsis thaliana root system. We identified 115 genes (2% of all P. simiae genes) with functions that are required for maximal competitive colonization of the root system. Among the genes we identified were some with obvious colonization-related roles in motility and carbon metabolism, as well as 44 other genes that had no or vague functional predictions. Independent validation assays of individual genes confirmed colonization functions for 20 of 22 (91%) cases tested. To further characterize genes identified by our screen, we compared the functional contributions of P. simiae genes to growth in 90 distinct in vitro conditions by RB-TnSeq, highlighting specific metabolic functions associated with root colonization genes. Here, our analysis of bacterial genes by sequence-driven saturation mutagenesis revealed a genome-wide map of the genetic determinants of plant root colonization and offers a starting point for targeted improvement of the colonization capabilities of plant-beneficial microbes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Redirector: Designing Cell Factories by Reconstructing the Metabolic Objective

Advances in computational metabolic optimization are required to realize the full potential of new in vivo metabolic engineering technologies by bridging the gap between computational design and strain development. We present Redirector, a new Flux Balance Analysis-based framework for identifying engineering targets to optimize metabolite production in complex pathways. Previous optimization frameworks have modeled metabolic alterations as directly controlling fluxes by setting particular flux bounds. Redirector develops a more biologically relevant approach, modeling metabolic alterations as changes in the balance of metabolic objectives in the system. This framework iteratively selects enzyme targets, adds the associated reaction fluxes to the metabolic objective, thereby incentivizing flux towards the production of a metabolite of interest. These adjustments to the objective act in competition with cellular growth and represent up-regulation and down-regulation of enzyme mediated reactions. Using the iAF1260 E. coli metabolic network model for optimization of fatty acid production as a test case, Redirector generates designs with as many as 39 simultaneous and 111 unique engineering targets. These designs discover proven in vivo targets, novel supporting pathways and relevant interdependencies, many of which cannot be predicted by other methods. Redirector is available as open and free software, scalable to computational resources, and powerful enough to find all known enzyme targets for fatty acid production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer

Protein electrospray ionization (ESI) mass spectrometry (MS)-based techniques are widely used to provide insight into structural proteomics under the assumption that non-covalent protein complexes being transferred into the gas phase preserve basically the same intermolecular interactions as in solution. Here we investigate the applicability of this assumption by extending our previous structural prediction protocol for single proteins in ESI-MS to protein complexes. We apply our protocol to the human insulin dimer (hIns2) as a test case. Our calculations reproduce the main charge and the collision cross section (CCS) measured in ESI-MS experiments. Molecular dynamics simulations for 0.075 ms show that the complex maximizes intermolecular non-bonded interactions relative to the structure in water, without affecting the cross section. The overall gas-phase structure of hIns2 does exhibit differences with the one in aqueous solution, not inferable from a comparison with calculated CCS. Hence, care should be exerted when interpreting ESI-MS proteomics data based solely on NMR and/or X-ray structural information.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

HERO WEC V1 Upgrade - 2023 Laboratory Testing (processed data)

The following submission includes processed laboratory data from NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC), in the form of MATLAB workspaces. This dataset was created using NREL's Large Amplitude Motion Platform (LAMP) and collected between August and September 2023. Included with this submission is a test log of all the processed data "HERO WEC LAMP test run log.xlsx" so that the user can easily find the data of interest. Additionally, more detailed descriptions of the type of data and how it was processed, or calculated, can be found in the document titled "Lamp Data Description.docx". The MATLAB workspaces can be visualized using the file "LAMP_Data_Viewer_Ver2.m/mlx". The user simply needs to upload the workspace of interest and run the file "LAMP_Data_Viewer_Ver2.m/mlx". Both the .m and .mlx file format has been provided depending on the user's preference. The MATLAB workspaces have been separated into zip files corresponding to either Drivetrain, Hydraulic, or Electric configuration runs representing the respective test cases that were run. The drivetrain runs were used to characterize the drivetrain only (no pump or generator). The Hydraulic runs represent the configuration when the seawater pump is installed, and the Electric runs represents the configuration when the generator is installed. The following sub-categories of data are included for each type: - DW - Deep water sine wave profile (not run in drivetrain configuration) - Heave - Heave only sine wave profile - Heave_NoRO (hydraulic configuration only) - Heave_ACC (hydraulic configuration only) - IR - Surge and heave irregular wave profile (not run in drivetrain configuration) - RW - Heave only profile created from real world encoder data (not run in drivetrain configuration) For those interested in the raw, unprocessed, data the authors have created a separate submission, linked below. This submission includes the raw TDMS files and associated files necessary to translate the data into either python or MATLAB formats. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗