Results for “computational capability” — Page 49

DOE OSTI2020

BISON Capabilities for LWR Fuel Behavior Analysis During Accident and High-burnup Conditions

The U.S. Department of Energy (DOE)'s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities using computational methods for the analysis and design of advanced reactor and fuel cycle systems. This program has been supporting the development of BISON which is a high-fidelity and high-resolution fuel performance tool at the engineering scale. Increasing recent interest in applications at extended burnups motivated this study to incorporate more physically based models in BISON. This document details integration of newly implemented modeling capabilities into BISON, which includes (1) new thermal conductivity models that are valid up to 100 GWd/t, (2) models for the formation of the high-burnup structure (HBS), (3) two porosity correction methods beingapplied on the thermal conductivity due to the conducting pores during the HBS formation. BISON's results are verified and validated to test the new modeling capabilities

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1999

Ames Optimized TCA Configuration

Configuration design at Ames was carried out with the SYN87-SB (single block) Euler code using a 193 x 49 x 65 C-H grid. The Euler solver is coupled to the constrained (NPSOL) and the unconstrained (QNMDIF) optimization packages. Since the single block grid is able to model only wing-body configurations, the nacelle/diverter effects were included in the optimization process by SYN87's option to superimpose the nacelle/diverter interference pressures on the wing. These interference pressures were calculated using the AIRPLANE code. AIRPLANE is an Euler solver that uses a unstructured tetrahedral mesh and is capable of computations about arbitrary complete configurations. In addition, the buoyancy effects of the nacelle/diverters were also included in the design process by imposing the pressure field obtained during the design process onto the triangulated surfaces of the nacelle/diverter mesh generated by AIRPLANE. The interference pressures and nacelle buoyancy effects are added to the final forces after each flow field calculation. Full details of the (recently enhanced) ghost nacelle capability are given in a related talk. The pseudo nacelle corrections were greatly improved during this design cycle. During the Ref H and Cycle 1 design activities, the nacelles were only translated and pitched. In the cycle 2 design effort the nacelles can translate vertically, and pitch to accommodate the changes in the lower surface geometry. The diverter heights (between their leading and trailing edges) were modified during design as the shape of the lower wing changed, with the drag of the diverter changing accordingly. Both adjoint and finite difference gradients were used during optimization. The adjoint-based gradients were found to give good direction in the design space for configurations near the starting point, but as the design approached a minimum, the finite difference gradients were found to be more accurate. Use of finite difference gradients was limited by the CPU time limit available on the Cray machines. A typical optimization run using finite difference gradients can use only 30 to 40 design variables and one optimization iteration within the 8 hour queue limit for the chosen grid size and convergence level. The efficiency afforded by the adjoint method allowed for 50-120 design variables and 5-10 optimization iterations in the 8 hour queue. Geometric perturbations to the wing and fuselage were made using the Hicks/Henne (HH) shape functions. The HH functions were distributed uniformly along the chords of the wing defining sections and lofted linearly. During single-surface design, constraints on thickness and volume at selected wing stations were imposed. Both fuselage camber and cross-sectional area distributions were permitted to change during design. The major disadvantage to the use of these functions is the inherent surface waviness produced by repeated use of such functions. Many smoothing operations were required following optimization runs to produce a configuration with reasonable smoothness. Wagner functions were also used on the wing sections but were never used on the fuselage. The Wagner functions are a family of increasingly oscillatory functions that have also been used extensively in airfoil design. The leading and trailing edge regions of the wing were designed by use of polynomial and monomial functions respectively. Twist was attempted but was abandoned because of little performance improvement available from changing the baseline twist.

Cliff, Susan E.↗

DOE OSTI2020

The GABLE Report: Garbled Autonomous Bots Leveraging Ethereum

Simple but mission-critical internet-based applications that require extremely high reliability and availability could potentially benefit from running on robust public programmable blockchain platforms such as Ethereum. Unfortunately, program code running on such blockchains is ordinarily publicly viewable, rendering these platforms unsuitable for applications requiring strict privacy of application code, data, and results. However, might it be possible to encode an application's business logic and data for these platforms in such a way that it becomes impossible for unauthorized parties to infer any meaningful information whatsoever about the semantics of the data, and the operations being performed on that data? In this report, we describe GABLE (Garbled Autonomous Bots Leveraging Ethereum), a system concept developed at Sandia that achieves this security goal in a limited, but still useful range of circumstances. GABLE, uses simple but effective algorithms to permit secure private execution of garbled state machines (and more efficient garbled circuits) on public computing resources. We give an example working implementation for garbled state machines, written using the Python and Solidity programming languages, and outline how our methods can be extended to support a more powerful garbled universal circuit model of computation. The capability embodied by the GABLE, system has significant potential applications, a few of which we discuss in this report.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1991

Advanced teleoperation - Progress and problems

A dual-arm Advanced Teleoperation System (ATOPS) was developed at JPL to demonstrate and evaluate performance capabilities of computer and sensing aided teleoperation. This paper gives a brief overview of the system and briefly describes some of the generic and application-oriented performance experiments together with the major results. A major conclusion is that the new advanced technical features of the system should be properly integrated with or interfaced to the natural features of human operations in order to produce an improved overall system and task performance capability.

Bejczy, Antal K.↗

NASA NTRS1998

Eddy Current Influences on the Dynamic Behaviour of Magnetic Suspension Systems

This report will summarize some results from a multi-year research effort at NASA Langley Research Center aimed at the development of an improved capability for practical modelling of eddy current effects in magnetic suspension systems. Particular attention is paid to large-gap systems, although generic results applicable to both large-gap and small-gap systems are presented. It is shown that eddy currents can significantly affect the dynamic behavior of magnetic suspension systems, but that these effects can be amenable to modelling and measurement. Theoretical frameworks are presented, together with comparisons of computed and experimental data particularly related to the Large Angle Magnetic Suspension Test Fixture at NASA Langley Research Center, and the Annular Suspension and Pointing System at Old Dominion University. In both cases, practical computations are capable of providing reasonable estimates of important performance-related parameters. The most difficult case is seen to be that of eddy currents in highly permeable material, due to the low skin depths. Problems associated with specification of material properties and areas for future research are discussed.

Britcher, Colin P.↗

DOE OSTI2022

2022 Agnew and Metropolis Postdoc Fellow Showcase Event Book

Agnew National Security Postdoc Fellows pursue cutting-edge experimental, theoretical, computational science, and engineering research aligned with the national security mission. Metropolis Postdoc Fellows pursue cutting-edge research in the areas of computational and computer science, physics, and engineering. Computer simulation capabilities are developed in support of the stockpile stewardship program together with broader national nuclear security needs. Fellows have access to some of the most powerful supercomputers in the world to perform pioneering research.

42 ENGINEERING↗

DOE OSTI2019

Core Cosmology Library: Precision Cosmological Predictions for LSST

The Core Cosmology Library (CCL) provides routines to compute basic cosmological observables to a high degree of accuracy, which have been verified with an extensive suite of validation tests. Predictions are provided for many cosmological quantities, including distances, angular power spectra, correlation functions, halo bias and the halo mass function through state-of-the-art modeling prescriptions available in the literature. Fiducial specifications for the expected galaxy distributions for the Large Synoptic Survey Telescope (LSST) are also included, together with the capability of computing redshift distributions for a user-defined photometric redshift model. A rigorous validation procedure, based on comparisons between CCL and independent software packages, allows us to establish a well-defined numerical accuracy for each predicted quantity. As a result, predictions for correlation functions of galaxy clustering, galaxy-galaxy lensing and cosmic shear are demonstrated to be within a fraction of the expected statistical uncertainty of the observables for the models and in the range of scales of interest to LSST. CCL is an open source software package written in C, with a python interface and publicly available at this https URL: https://github.com/LSSTDESC/CCL

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1986

Navier-Stokes computations for circulation controlled airfoils

Navier-Stokes computations of subsonic to transonic flow past airfoils with augmented lift due to rearward jet blowing over a curved trailing edge are presented. The approach uses a spiral grid topology. Solutions are obtained using a Navier-Stokes code which employs an implicit finite difference method, an algebraic turbulence model, and developments which improve stability, convergence, and accuracy. Results are compared against experiments for no jet blowing and moderate jet pressures and demonstrate the capability to compute these complicated flows.

Pulliam, T. H.↗

NASA NTRS1987

Navier-Stokes computations for circulation control airfoils

Navier-Stokes computations of subsonic to transonic flow past airfoils with augmented lift due to rearward jet blowing over a curved trailing edge are presented. The approach uses a spiral grid topology. Solutions are obtained using a Navier-Stokes code which employs an implicit finite difference method, an algebraic turbulence model, and developments which improve stability, convergence, and accuracy. Results are compared against experiments for no jet blowing and moderate jet pressures and demonstrate the capability to compute these complicated flows.

Pulliam, Thomas H.↗

NASA NTRS2016

Challenges and Progress in Aerodynamic Design of Hybrid Wingbody Aircraft with Embedded Engines

We summarize the contributions to high-fidelity capabilities for analysis and design of hybrid wingbody (HWB) configurations considered by NASA. Specifically, we focus on the embedded propulsion concepts of the N2-B and N3-X configurations, some of the future concepts seriously investigated by the NASA Fixed Wing Project. The objective is to develop the capability to compute the integrated propulsion and airframe system realistically in geometry and accurately in flow physics. In particular, the propulsion system (including the entire engine core-compressor, combustor, and turbine stages) is vastly more difficult and costly to simulate with the same level of fidelity as the external aerodynamics. Hence, we develop an accurate modeling approach that retains important physical parameters relevant to aerodynamic and propulsion analyses for evaluating the HWB concepts. Having the analytical capabilities at our disposal, concerns and issues that were considered to be critical for the HWB concepts can now be assessed reliably and systematically; assumptions invoked by previous studies were found to have serious consequences in our study. During this task, we establish firmly that aerodynamic analysis of a HWB concept without including installation of the propulsion system is far from realistic and can be misleading. Challenges in delivering the often-cited advantages that belong to the HWB are the focus of our study and are emphasized in this report. We have attempted to address these challenges and have had successes, which are summarized here. Some can have broad implications, such as the concept of flow conditioning for reducing flow distortion and the modeling of fan stages. The design optimization capability developed for improving the aerodynamic characteristics of the baseline HWB configurations is general and can be employed for other applications. Further improvement of the N3-X configuration can be expected by expanding the design space. Finally, the support of the System Analysis and Integration Element under the NASA Fixed Wing Project has enabled the development and helped deployment of the capabilities shown in this report.

design optimization↗

NASA NTRS1980

Supersonic flow over three-dimensional ablated nosetips using an unsteady implicit numerical procedure

The three-dimensional supersonic flow over passive, that is, nonablating, indented nosetips of reentry vehicles is determined using an unsteady implicit numerical algorithm which solves either the inviscid Euler equations or the 'thin-layer' Navier-Stokes equations. A nonorthogonal independent variable transformation is used to map the distorted physical domain, containing multiple zones of embedded subsonic flow and separated flow regions into a rectangular computational volume at whose boundaries the required permeable or impermeable boundary conditions are simulated. Use of the implicit algorithm results in faster convergence to the steady state because of a larger allowable time step over conventional explicit schemes. The numerical results obtained compare favorably with existing numerical solutions and experimental data for simple spheres which validates the program. Results are also presented for analytically defined indented bodies for both laminar and turbulent flow conditions that demonstrate the program's capability for computing such flows.

Kutler, P.↗

DOE OSTI2021

Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗

NASA NTRS1993

Nuclear Engine System Simulation (NESS). Version 2.0: Program user's guide

This Program User's Guide discusses the Nuclear Thermal Propulsion (NTP) engine system design features and capabilities modeled in the Nuclear Engine System Simulation (NESS): Version 2.0 program (referred to as NESS throughout the remainder of this document), as well as its operation. NESS was upgraded to include many new modeling capabilities not available in the original version delivered to NASA LeRC in Dec. 1991, NESS's new features include the following: (1) an improved input format; (2) an advanced solid-core NERVA-type reactor system model (ENABLER 2); (3) a bleed-cycle engine system option; (4) an axial-turbopump design option; (5) an automated pump-out turbopump assembly sizing option; (6) an off-design gas generator engine cycle design option; (7) updated hydrogen properties; (8) an improved output format; and (9) personal computer operation capability. Sample design cases are presented in the user's guide that demonstrate many of the new features associated with this upgraded version of NESS, as well as design modeling features associated with the original version of NESS.

Pelaccio, Dennis G.↗

DOE OSTI2017

Fluid-Structure Interaction of Deforming Porous Media

Sandia National Laboratories (SNL) and the Procter and Gamble Company (P&G) collaborated to develop a computational tool that predicts the in-use performance of consumer good products based on specific loading, geometries, materials, and boundary conditions. This computational tool is particularly useful in exploring the consumer-product interface and product performance. The benefit to P&G was many-fold, as the numerous project-tasks that were funded under this agreement led to advanced analysis software that allowed P&G to improve the performance and manufacturing of many of their products across several business units. The benefit to SNL was many-fold as well, including improved reduced-order models for thin-region dynamics (used for customers through DSA, NW, and EC PMUs), improved computational mechanics capability for capillary hydrodynamics, porous flow, structural mechanics, and more. Example applications of these improved capabilities at SNL include, but are not limited to, encapsulation, welding, soldering, and brazing models for NW, interface sliding models for DoD SPP programs, and porous-elastic subsidence modeling for energy and climate applications. Moreover, many current code developers on the ASC program’s SIERRA applications gained valuable skills working on this CRADA.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1996

Parallel NPARC: Implementation and Performance

Version 3 of the NPARC Navier-Stokes code includes support for large-grain (block level) parallelism using explicit message passing between a heterogeneous collection of computers. This capability has the potential for significant performance gains, depending upon the block data distribution. The parallel implementation uses a master/worker arrangement of processes. The master process assigns blocks to workers, controls worker actions, and provides remote file access for the workers. The processes communicate via explicit message passing using an interface library which provides portability to a number of message passing libraries, such as PVM (Parallel Virtual Machine). A Bourne shell script is used to simplify the task of selecting hosts, starting processes, retrieving remote files, and terminating a computation. This script also provides a simple form of fault tolerance. An analysis of the computational performance of NPARC is presented, using data sets from an F/A-18 inlet study and a Rocket Based Combined Cycle Engine analysis. Parallel speedup and overall computational efficiency were obtained for various NPARC run parameters on a cluster of IBM RS6000 workstations. The data show that although NPARC performance compares favorably with the estimated potential parallelism, typical data sets used with previous versions of NPARC will often need to be reblocked for optimum parallel performance. In one of the cases studied, reblocking increased peak parallel speedup from 3.2 to 11.8.

Townsend, S. E.↗

NASA NTRSDate not supplied

Analysis of Ice Mass Growth Over Time on the CRM65 Midspan Hybrid Model

The Aeronautics Research Mission Directorate at NASA is developing and applying tools to enable future technologies towards sustainable flight. Aircraft icing has been identified as a potential barrier to entry into service for innovative designs necessitating improvements to computational ice accretion tools. NASA is developing the Glenn Icing Computational Environment (GlennICE) to address deficiencies in the computational modeling capabilities of previously developed ice accretion solvers. To benchmark and improve the ability to model highly three-dimensional ice accretion, high quality validation data against experimental data is required. The CRM65 Midspan Hybrid geometry was previously tested at the NASA Icing Research Tunnel to generate experimental data for swept wing geometries typical for commercial transport aircraft. As a part of a 2018 icing test campaign, experimental data characterizing the relationship between ice accretion time and ice mass growth was obtained and can be leveraged for use in validation of computational tools. The desire for computational ice accretion solvers to predict ice shapes profiles accreted experimentally has often overshadowed the comparison to the mass and bulk volume of ice accreted. To address this deficiency, an analysis is presented in which GlennICE is applied to simulations of the CRM65 Midspan Hybrid model tested in the NASA Icing Research Tunnel. Results from the computational fluid dynamics simulations compared favorably to the experimental pressure coefficient data, thus validating the modeling setup. The experimental data showed excellent repeatability for the 15.0 minute accretion time. The comparisons between the experimental and computational ice mass over time showed good agreement up to 10.0 minutes after which the ice mass was underpredicted. The experimental ice mass was largely linear with some nonlinear data. The bulk volume of ice accreted experimentally compared well to GlennICE for the scanned ice shapes and mean combined cross section ice shapes, but was underpredicted for the maximum combined cross section ice shapes at longer accretion times. The experimental minimum combined cross section, mean combined cross section, and maximum combined cross section profiles when compared to GlennICE show good agreement for the mean combined cross section up to 15.0 minutes. The analyses show that with a single-shot method, GlennICE currently underpredicts the ice mass for longer accretion times, is not able to match the bulk volume of the maximum combined cross section due to dominating scallop features, and future work is required to generate a more generalized ice bulk density model.

Icing↗

NASA NTRSDate not supplied

Analysis of Ice Mass Growth Over Time on the CRM65 Midspan Hybrid Model

The Aeronautics Research Mission Directorate at NASA is developing and applying tools to enable future technologies towards sustainable flight. Aircraft icing has been identified as a potential barrier to entry into service for innovative designs necessitating improvements to computational ice accretion tools. NASA is developing the Glenn Icing Computational Environment (GlennICE) to address deficiencies in the computational modeling capabilities of previously developed ice accretion solvers. To benchmark and improve the ability to model highly three-dimensional ice accretion, high quality validation data against experimental data is required. The CRM65 Midspan Hybrid geometry was previously tested at the NASA Icing Research Tunnel to generate experimental data for swept wing geometries typical for commercial transport aircraft. As a part of a 2018 icing test campaign, experimental data characterizing the relationship between ice accretion time and ice mass growth was obtained and can be leveraged for use in validation of computational tools. The desire for computational ice accretion solvers to predict ice shapes profiles accreted experimentally has often overshadowed the comparison to the mass and bulk volume of ice accreted. To address this deficiency, an analysis is presented in which GlennICE is applied to simulations of the CRM65 Midspan Hybrid model tested in the NASA Icing Research Tunnel. Results from the computational fluid dynamics simulations compared favorably to the experimental pressure coefficient data, thus validating the modeling setup. The experimental data showed excellent repeatability for the 15.0 minute accretion time. The comparisons between the experimental and computational ice mass over time showed good agreement up to 10.0 minutes after which the ice mass was underpredicted. The experimental ice mass was largely linear with some nonlinear data. The bulk volume of ice accreted experimentally compared well to GlennICE for the scanned ice shapes and mean combined cross section ice shapes, but was underpredicted for the maximum combined cross section ice shapes at longer accretion times. The experimental minimum combined cross section, mean combined cross section, and maximum combined cross section profiles when compared to GlennICE show good agreement for the mean combined cross section up to 15.0 minutes. The analyses show that with a single-shot method, GlennICE currently underpredicts the ice mass for longer accretion times, is not able to match the bulk volume of the maximum combined cross section due to dominating scallop features, and future work is required to generate a more generalized ice bulk density model.

Icing↗

DOE OSTI2019

1CPN: A coarse-grained multi-scale model of chromatin

A central question in epigenetics is how histone modifications influence the 3D structure of eukaryotic genomes and, ultimately, how this 3D structure is manifested in gene expression. The wide range of length scales that influence the 3D genome structure presents important challenges; epigenetic modifications to histones occur on scales of angstroms, yet the resulting effects of these modifications on genome structure can span micrometers. There is a scarcity of computational tools capable of providing a mechanistic picture of how molecular information from individual histones is propagated up to large regions of the genome. In this work, a new molecular model of chromatin is presented that provides such a picture. This new model, referred to as 1CPN, is structured around a rigorous multiscale approach, whereby free energies from an established and extensively validated model of the nucleosome are mapped onto a reduced coarse-grained topology. As such, 1CPN incorporates detailed physics from the nucleosome, such as histone modifications and DNA sequence, while maintaining the computational efficiency that is required to permit kilobase-scale simulations of genomic DNA. The 1CPN model reproduces the free energies and dynamics of both single nucleosomes and short chromatin fibers, and it is shown to be compatible with recently developed models of the linker histone. It is applied here to examine the effects of the linker DNA on the free energies of chromatin assembly and to demonstrate that these free energies are strongly dependent on the linker DNA length, pitch, and even DNA sequence. In conclusion, the 1CPN model is implemented in the LAMMPS simulation package and is distributed freely for public use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗