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At least 1,387 records · Page 77

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↗

Direct simulations of chemically reacting turbulent mixing layers

The report presents the results of direct numerical simulations of chemically reacting turbulent mixing layers. The work consists of two parts: (1) the development and testing of a spectral numerical computer code that treats the diffusion reaction equations; and (2) the simulation of a series of cases of chemical reactions occurring on mixing layers. The reaction considered is a binary, irreversible reaction with no heat release. The reacting species are nonpremixed. The results of the numerical tests indicate that the high accuracy of the spectral methods observed for rigid body rotation are also obtained when diffusion, reaction, and more complex flows are considered. In the simulations, the effects of vortex rollup and smaller scale turbulence on the overall reaction rates are investigated. The simulation results are found to be in approximate agreement with similarity theory. Comparisons of simulation results with certain modeling hypotheses indicate limitations in these hypotheses. The nondimensional product thickness computed from the simulations is compared with laboratory values and is found to be in reasonable agreement, especially since there are no adjustable constants in the method.

Riley, J. J.↗

A simple method to compute the change in earth-atmosphere radiative balance due to a stratospheric aerosol layer

A computer code was developed in terms of a three-layer model for the earth-atmosphere system, using a two-stream approximation for the troposphere and stratosphere. The analysis was limited to variable atmosphere loading by solar radiation over an unperturbed section of the atmosphere. The scattering atmosphere above a Lambertian ground layer was considered in order to derive the planar albedo and the spherical albedo. Attention was given to the influence of the aerosol optical thickness in the stratosphere, the single scattering albedo and asymmetry factor, and the sublayer albedo. Calculations were performed of the zonal albedo and the planetary radiation balance, taking into account a stratospheric aerosol layer containing H2SO4 droplets and volcanic ash. The resulting ground temperature disturbance was computed using a Budyko (1969) climate model. Local decreases in the albedo in the summer were observed in high latitudes, implying a heating effect of the aerosol. An accompanying energy loss of 23-27 W/sq m was projected, which translates to surface temperature decreases of either 1.1 and 0.45 C, respectively, for background and volcanic aerosols.

Lenoble, J.↗

CometBoards Users Manual Release 1.0

Several nonlinear mathematical programming algorithms for structural design applications are available at present. These include the sequence of unconstrained minimizations technique, the method of feasible directions, and the sequential quadratic programming technique. The optimality criteria technique and the fully utilized design concept are two other structural design methods. A project was undertaken to bring all these design methods under a common computer environment so that a designer can select any one of these tools that may be suitable for his/her application. To facilitate selection of a design algorithm, to validate and check out the computer code, and to ascertain the relative merits of the design tools, modest finite element structural analysis programs based on the concept of stiffness and integrated force methods have been coupled to each design method. The code that contains both these design and analysis tools, by reading input information from analysis and design data files, can cast the design of a structure as a minimum-weight optimization problem. The code can then solve it with a user-specified optimization technique and a user-specified analysis method. This design code is called CometBoards, which is an acronym for Comparative Evaluation Test Bed of Optimization and Analysis Routines for the Design of Structures. This manual describes for the user a step-by-step procedure for setting up the input data files and executing CometBoards to solve a structural design problem. The manual includes the organization of CometBoards; instructions for preparing input data files; the procedure for submitting a problem; illustrative examples; and several demonstration problems. A set of 29 structural design problems have been solved by using all the optimization methods available in CometBoards. A summary of the optimum results obtained for these problems is appended to this users manual. CometBoards, at present, is available for Posix-based Cray and Convex computers, Iris and Sun workstations, and the VM/CMS system.

Guptill, James D.↗

The Use of the STAGS Finite Element Code in Stitched Structures Development

In the last 30 years NASA has worked in collaboration with industry to develop enabling technologies needed to make aircraft more fuel-efficient and more affordable. The focus on the airframe has been to reduce weight, improve damage tolerance and better understand structural behavior under realistic flight and ground loading conditions. Stitched structure is a technology that can address the weight savings, cost reduction, and damage tolerance goals, but only if it is supported by accurate analytical techniques. Development of stitched technology began in the 1990's as a partnership between NASA and Boeing (McDonnell Douglas at the time) under the Advanced Composites Technology Program and has continued under various titles and programs and into the Environmentally Responsible Aviation Project today. These programs contained development efforts involving manufacturing development, design, detailed analysis, and testing. Each phase of development, from coupons to large aircraft components was supported by detailed analysis to prove that the behavior of these structures was well-understood and predictable. The Structural Analysis of General Shells (STAGS) computer code was a critical tool used in the development of many stitched structures. As a key developer of STAGS, Charles Rankin's contribution to the programs was quite significant. Key features of STAGS used in these analyses and discussed in this paper include its accurate nonlinear and post-buckling capabilities, its ability to predict damage growth, and the use of Lagrange constraints and follower forces.

Jegley, Dawn C.↗

Numerical simulation of steady transonic flow about airfoils

A computer code has been developed that couples a fast transonic full-potential AF2 solver with both an efficient integral boundary-layer method and a viscous wedge approximation of the shock/boundary-layer interaction. The efficiency of the coupled analysis methods and the method of coupling has resulted in a uniquely efficient analysis tool. The airfoil geometry is modified by the displacement thickness before the shock and the displacement thickness plus the viscous wedge thickness after the shock by considering the viscous effects as an equivalent transpiration boundary condition. The flow about conventional and supercritical airfoils under moderately strong shock situations has been calculated. Comparisons with experimental data indicate that this viscous correction method has improved the accuracy of the full-potential analysis. Furthermore, the computer time required to obtain a converged solution has been reduced.

Lee, S. C.↗

Justification for Use of the HELP Model to Estimate Infiltration Rates for the E-Area Low-Level Waste Facility Performance Assessment

Whiteside et al. conducted an in-depth literature review and performed basic infiltration model simulations to evaluate the Hydrologic Evaluation of Landfill Performance (HELP) model against five alternative computational codes utilizing the Richards equation for variably-saturated flow. Of the five alternatives considered (LEACHM, UNSAT-H, SVFlux, HYDRUS-2D3D, and VADOSE/W), only HYDRUS-2D3D and VADOSE/W were selected for further evaluation, which consisted of a side-by-side comparison versus HELP of calculated infiltration rates through a one-layer soil column with two percent slope.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SCALE 6.2.4 Validation: Radiation Shielding

For safe and reliable use of computer codes by the community, accuracy must be clearly evaluated. In particular, the nuclear reactor engineering and licensing field needs accurate tools for radiation shielding modeling. Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) is one such tool, with built-in variance reduction methods distributed within the SCALE code, and its validity is demonstrated in this report for the released version 6.2.4. Representative benchmarks corresponding to shielding analysis are selected for the validation study. Typical experimental results analyzed from those benchmarks include neutron fluxes, detector count rates, detector energy response functions, neutron and gamma doses, foil neutron activation rates and activities, neutron leakage fluxes, and skyshine dose rates. Thousands of points of comparison between experiment and calculation are presented in this work. Other than rare outliers typically explained by either a lack of information or large uncertainties in the experiment conditions, material, or dimensions, MAVRIC agrees well with the experiment results. MAVRIC is also compared to Monte Carlo N-Particle (MCNP) calculations when available, and both codes generally produce good agreements within estimated uncertainties. The selected benchmarks are obtained from reliable sources such as the International Criticality Safety Benchmark Evaluation Project Handbook (ICSBEP Handbook), the Shielding Integral Benchmark Archive & Database (SINBAD), and other shielding validation work found in the literature. Additional datapoints and benchmarks will be added to future versions of this report to incrementally expand the shielding validation suite incrementally.

61 RADIATION PROTECTION AND DOSIMETRY↗

Numerical studies of motion of vortex filaments - Implementing the asymptotic analysis

A computational code is developed for the integro-differential equations governing the motion of the centerlines of vortex filaments submerged in a background potential flow. These equations, which are derived from the method of matched asymptotic analysis, include the effect of the decaying large-magnitude circumferential and axial velocity components in the vortical cores. Numerical examples are presented to assess the effect of a large axial velocity and that of nonsimilar initial profiles in the vortical cores. The initial configurations of the filaments are chosen so as to fulfill the basic assumption of the asymptotic analysis, which is that the effective vortical core size is much smaller than all the other length scales in the flowfield, e.g., the radius of curvature and the interfilament distance. The computations are continued until the basic assumption is no longer valid, that is when the merging or intersection of filaments has begun. A classification of the various types of local or global merging or intersection of filaments is made and demonstrated by numerical examples. It is then shown that the asymptotic solution not only provides the initial data but also can be used to formulate the appropriate boundary conditions for the numerical solution of a merged region.

Liu, C. H.↗

A Response Surface Methodology for Bi-Level Integrated System Synthesis (BLISS)

The report describes a new method for optimization of engineering systems such as aerospace vehicles whose design must harmonize a number of subsystems and various physical phenomena, each represented by a separate computer code, e.g., aerodynamics, structures, propulsion, performance, etc. To represent the system internal couplings, the codes receive output from other codes as part of their inputs. The system analysis and optimization task is decomposed into subtasks that can be executed concurrently, each subtask conducted using local state and design variables and holding constant a set of the system-level design variables. The subtasks results are stored in form of the Response Surfaces (RS) fitted in the space of the system-level variables to be used as the subtask surrogates in a system-level optimization whose purpose is to optimize the system objective(s) and to reconcile the system internal couplings. By virtue of decomposition and execution concurrency, the method enables a broad workfront in organization of an engineering project involving a number of specialty groups that might be geographically dispersed, and it exploits the contemporary computing technology of massively concurrent and distributed processing. The report includes a demonstration test case of supersonic business jet design.

Altus, Troy David↗

Uncertainty Propagation from Experiment Measurements to Modeling Approaches: A Case for SMR Steam Entrainment Testing

To license new and advanced reactor designs, regulators must be convinced that their unique safety cases—relative to existing large scale reactors—have been adequately addressed by the designed reactor protection systems. In water cooled small modular reactors (SMRs), droplet entrainment in steam flow has significant implications on the progression of accident scenarios due to its compact design features, which requires representative test data applicable to SMR designs. Computer code, modeling and simulation (M&S) tools and models require adequate verification, assessment, and qualification. This includes M&S results validation against scaled empirical data within allowable uncertainty bands to gain regulatory approvals during the various stages of reactor system design, demonstration, and commercialization. However, measurement uncertainty within the empirical datasets and test data applicability ranges requires careful consideration of M&S inputs (i.e., boundary conditions, and initial conditions), and verification and validation efforts. This study focuses on uncertainty quantification in designing scaled test facilities for SMR applications with appropriate measurements and a standard data-reduction method to estimate thermal hydraulics characteristics parameters that incorporate physics phenomena of interest. In addition, this study supports the evaluation model development and assessment process using M&S that interfaces with advanced computing tools and digital twin capabilities. This will allow synchronization between experiment and modeling approaches for droplet entrainment testing and analysis, improving diagnostics, prognostics, and decision-making to accelerate regulatory approval.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Using Satellite Data in Weather Forecasting: I

The GOES Product Generation System (GPGS) is a set of computer codes and scripts that enable the assimilation of real-time Geostationary Operational Environmental Satellite (GOES) data into regional-weather-forecasting mathematical models. The GPGS can be used to derive such geophysical parameters as land surface temperature, the amount of precipitable water, the degree of cloud cover, the surface albedo, and the amount of insolation from satellite measurements of radiant energy emitted by the Earth and its atmosphere. GPGS incorporates a priori information (initial guesses of thermodynamic parameters of the atmosphere) and radiometric measurements from the geostationary operational environmental satellites along with mathematical models of physical principles that govern the transfer of energy in the atmosphere. GPGS solves the radiative-transfer equation and provides the resulting data products in formats suitable for use by weather-forecasting computer programs. The data-assimilation capability afforded by GPGS offers the potential to improve local weather forecasts ranging from 3 hours to 2 days - especially with respect to temperature, humidity, cloud cover, and the probability of precipitation. The improvements afforded by GPGS could be of interest to news media, utility companies, and other organizations that utilize regional weather forecasts.

Jedlovec, Gary J.↗

Technical Manual and User's Guide for MILDOS, Version 4.1

The MILDOS computer code is used to estimate the radiological impacts of airborne emissions from uranium mining and milling facilities. The code allows users to consider both conventional uranium ore operations and operations associated with in situ recovery (ISR) facilities. The code is used by license applicants and U.S. Nuclear Regulatory Commission staff to perform routine radiological impact and compliance evaluations for various uranium recovery operations. As part of a major code update, the following improvements and additions were made to the code: (a) revised ISR models, (b) support for ores containing thorium-232 (Th-232) and its daughter radionuclides in addition to the currently supported uranium-238 (U-238) and its daughter radionuclides, (c) a revised area source model, (d) the capability to perform sensitivity analysis on specific input parameters, (e) the capability to use current meteorological data provided by the National Climatic Data Center, and (f) an interactive results module.

54 ENVIRONMENTAL SCIENCES↗

Non-smooth Bayesian optimization in tuning scientific applications

Tuning algorithmic parameters to optimize the performance of large, complicated computational codes is an important problem involving finding the optima and identifying regimes defined by non-smooth boundaries in black-box functions. Within the Bayesian optimization framework, the Gaussian process surrogate model produces smooth mean functions, but functions in the tuning problem are often non-smooth, which is exacerbated by the fact that we usually have limited sequential samples from the black-box function. Here, motivated by these issues encountered in tuning, we propose a novel Gaussian process model called a clustered Gaussian process (cGP), where the components are dynamically updated by clustering. In our studies, the performance of cGP can be better than stationary GPs in nearly 90% of the experiments and better than non-stationary GPs in nearly 70% of the repeated experiments while requiring less computational cost. cGP provides a novel approach for dynamic GP, computes more efficiently than recursive partitioning, and discovers non-smoothness regimes. We provide extensive experiments including high-performance computing (HPC) and industrial simulation functions to show the effectiveness of our methods.

97 MATHEMATICS AND COMPUTING↗

Density variance dynamics in disparate shock tubes

This report discusses two experiments which investigate thin layer, heavy curtain fragmentation from the perspective of a Reynolds-Averaged mix model, in drastically disparate experimental regimes. The first, the centimeter/millisecond-scale “Horizontal Shock Tube” (HST) is a compressed-gas piston-driven shock tube experiment. The second, the “Multishock thin layer” (Mshock) experiment performed at the National Ignition Facility, is a micrometer/nanosecond-scale laser-driven shock tube experiment. Both are situations in which a heavy plane layer (a ‘curtain’) is initially suspended in a lighter medium. After being shocked from at least one side, the layer translates while its interfaces evolve due to the excitation of the Richtmyer-Meshkov instability at its surfaces. The evolution of density variance, which initially exists only on the surface of the layer, as it comes to encompass the whole layer interior is used as a description of layer fragmentation and dissolution. These experiments have each been simulated in the Los Alamos National Laboratory multi-physics code xRAGE, which includes fundamental hydrodynamics, extended plasma physics and radiation effects which are important to drive the high-energy density experiment, and the Besnard-Harlow-Rauenzahn (BHR) turbulence model. In each, the principal diagnostic for comparison is an experimental metric for the density (co)variance, b, which tracks the moments of the density field at the curtain interfaces and body. Due to experimental constraints in different regimes (i.e. optical diagnostics can be deployed on conventional shock tubes, while the plasma shock tubes must be imaged by x-rays; interfaces can be imposed to specification on laser-driven experiments, which are stored in the solid phase, while conventional experiments have imperfect control of the flow fields which separate the layer, etc.) the experiments are not designed to be perfect scaled cognates of one another. However, despite the separation of six orders of magnitude of scaling in time, and four in space, we are able to demonstrate that the same turbulence model, operating in the same fashion in the same computer code, is able to reproduce results in each experiment, by tracking evolution due to common relevant physics. Additionally, we will present preliminary work toward density variance comparisons in a single-interface Richtmyer-Meshkov configuration, the conventional fluid “Vertical Shock Tube” (VST) experiment, and the Modal Initial Conditions (ModCons) campaign fielded at the OMEGA-EP laser facility.

42 ENGINEERING↗

MatLib-1.2: Nuclear Material Properties Library

The U.S. Nuclear Regulatory Commission (NRC) uses the computer code Fuel Analysis under Steady-state and Transients (FAST) to model steady-state and transient fuel behavior to support regulatory decisions. FAST relies on a material properties library (MatLib) that contains the thermal and mechanical properties of the nuclear materials and coolants of interest to support the US commercial nuclear industry. MatLib contains properties for a variety of nuclear fuels, cladding and other structural materials, gases, and coolants. In this document, material property correlations for the materials contained within MatLib are presented and discussed. When available, comparisons are made between the material property correlations and available data. Additionally, uncertainties are quantified on the material proper- ties, which is then used by the NRC to support uncertainty quantification for best-estimate plus uncertainty safety evaluation reviews. This document describes MatLib-1.2, which was updated from MatLib-1.1 to include cleanup of the code for streamlined calls to MatLib from the main FAST source code, and to enable easier readability of the code by developers that maintain and enhance the FAST code. The results of MatLib did not change between MatLib-1.1 and MatLib-1.2; however, the source code changes warranted incrementing the minor numbering of the software version number. The changes may result in faster execution times of FAST-1.2 as compared to FAST-1.1. This document is one of a series of documents on FAST; the other documents detail the models used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Student-Friendly Guide to Molecular Integrals

Preceding even the Hartree–Fock method, molecular integrals are the very foundation upon which quantum chemical molecular modeling depends. Discussions of molecular integrals are normally found only in advanced and technical texts or articles. The objective of the present article is to provide less experienced readers, or students in a physical/computational chemistry course, a thorough understanding of molecular integrals. Through a series of detailed Handouts, the student/reader can participate in the derivation of molecular integrals, and in turn implement them in computer code. Hartree–Fock theory is discussed in enough detail to motivate the molecular integrals and address such topics as the atomic orbital basis. An introduction to the programming language of choice, Python3, is provided, tailored toward developing the essential skills necessary for implementing molecular integrals. In conclusion, the article is intended to be useful not only to instructors of physical/computational chemistry, but also to any reader who has independently sought a primer on this elusive subject.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The MELCOR Plot File Format

This work provides a detailed explanation of the MELCOR Plot File format. MELCOR is a fully integrated, engineering-level computer code that models the progression of severe accidents in light water reactor nuclear power plants, and it primarily exports its simulation data to a binary file in the Plot File format. This work documents the Plot File's overall structure and the data types of exported information. The process of interpreting and associating time series information with MELCOR's Plot Variables for complete time histories is also presented. The format and meaning of time-independent information, called Special information, is also discussed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗