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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

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↗
DOE OSTI2013

Monte Carlo Studies for the Radiation Shielding Design of LCLS-II

Intensive Monte Carlo simulations performed with state-of-the-art computation codes are applied to the radiation shielding design of LCLS-II, which will be the extension of Linac Coherent Light Source (LCLS) at SLAC and will use the middle one-third of SLAC two-mile Linac. This paper describes the Monte Carlo studies of the first and last system where electron beams are involved, namely the LCLS-II Injector and the X-ray Transport and Diagnostics System (XTOD).

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

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↗
DOE OSTI2018

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↗
DOE OSTI2024

SCALE 6.3 Modeling Strategies for Reactivity, Nuclide Inventory, and Decay Heat of Non-LWRs

To assess modeling and simulation capabilities for thermal hydraulics, accident progression, source term, and consequence analysis for non–light-water reactor (LWR) technologies, the US Nuclear Regulatory Commission (NRC) initiated a collaborative project between Oak Ridge National Laboratory (ORNL) and Sandia National Laboratories (SNL) in FY20, which is detailed in “Volume 3: Computer Code Development Plans for Severe Accident Progression, Source Term, and Consequence Analysis.” This project demonstrated the capabilities of the MELCOR and SCALE codes to calculate accident scenarios during operation of relevant non-LWRs. The following five non-LWR concepts were selected for capability demonstration based on recently renewed industry interest in the United States to develop and deploy such reactor technologies: pebble-bed high temperature gas-cooled reactors (HTGRs), pebble-bed fluoride salt-cooled reactors (FHRs), molten salt–fueled reactors (MSRs), heat pipe reactors (HPRs), and sodium-cooled fast reactors (SFRs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2007

Triaxial Probe Magnetic Data Analysis

The Triaxial Magnetic Moment Analysis software uses measured magnetic field test data to compute dipole and quadrupole moment information from a hardware element. It is used to support JPL projects needing magnetic control and an understanding of the spacecraft-generated magnetic fields. Evaluation of the magnetic moment of an object consists of three steps: acquisition, conditioning, and analysis. This version of existing software was extensively rewritten for easier data acquisition, data analysis, and report presentation, including immediate feedback to the test operator during data acquisition. While prior JPL computer codes provided the same data content, this program has a better graphic display including original data overlaid with reconstructed results to show goodness of fit accuracy and better appearance of the report graphic page. Data are acquired using three magnetometers and two rotations of the device under test. A clean acquisition user interface presents required numeric data and graphic summaries, and the analysis module yields the best fit (least squares) for the magnetic dipole and/or quadrupole moment of a device. The acquisition module allows the user to record multiple data sets, selecting the best data to analyze, and is repeated three times for each of the z-axial and y-axial rotations. In this update, the y-axial rotation starting position has been changed to an option, allowing either the x- or z-axis to point towards the magnetometer. The code has been rewritten to use three simultaneous axes of magnetic data (three probes), now using two "rotations" of the device under test rather than the previous three rotations, thus reducing handling activities on the device under test. The present version of the software gathers data in one-degree increments, which permits much better accuracy of the fit ted data than the coarser data acquisition of the prior software. The data-conditioning module provides a clean data set for the analysis module. For multiple measurements at a given degree, the first measurement is used. For omitted measurements, the missing field is estimated by linear interpolation between the two nearest measurements. The analysis module was rewritten for the dual rotation, triaxial probe measurement process and now has better moment estimation accuracy, based on the finer one degree of data acquisition resolution. The magnetic moments thus computed are used as an input to summarize the total spacecraft field.

Shultz, Kimberly↗
DOE OSTI2020

Application of an Embedded Fracture and Borehole Modeling Approach to the Understanding of EGS Collab Experiment 1

EGS Collab is a series of meso-scale experiments and associated numerical simulation activities being funded by the United States Department of Energy, Geothermal Technologies Office (GTO) to investigate enhanced geothermal system processes under in-situ stress and slightly elevated temperature conditions. This project is designed to provide scientists and engineers with immediate access to impermeable rock at scales larger than possible in the laboratory, but generally smaller than those for commercial production. Immediate access to rock is provided via the existing drifts of the former Homestake Gold Mine, now operated as the Sanford Underground Research Facility in Lead, South Dakota. The objectives of the EGS Collab project are to develop well controlled fracture networks between injector and producer boreholes using normal and shear stimulation for permeability enhancement. The first experimental site was located off the West Access drift on the 4850 Level (4850 feet below ground surface) in phyllite of the Precambrian Poorman formation, and involved the creation of a fracture network comprising a combination of hydraulic and natural fractures. A second experimental site is now being considered near the battery alcove on the 4100 Level in amphibolite and rhyolite of the Yates Unit. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. Experiment 1 has comprised a series of successful tests, including a long-term chilled-water circulation test, but the testbed has two atypical EGS elements. Active ventilation in the adjacent drift over a 50-year period cooled the testbed rock mass and hydraulic fracturing intersected monitoring boreholes making them conduits for fluid flow. Numerical simulations executed in support of the design of the EGS Collab Experiment 1, computed a radial temperature distribution and stress gradient orthogonal to the drift axis, resulting in the forecast of an oblong hydraulic fracture geometry, extended in the direction of the drift from the stimulation borehole. This paper describes the numerical simulation of long-term chilled-water circulation test with an embedded fracture and borehole modeling approach. The principal objective of the simulation work is show agreement between experimental observations in terms of production fluid temperatures, monitoring borehole temperatures, injection and production pressures, and tracer recoveries using a single conceptual model for the fracture network, using characterization and monitoring data generally available for EGS. A secondary objective is to improve the numerical simulation result comparisons with additional data available from the broader monitoring equipment within the testbed versus deeper, hotter, and more remote EGS. One complicating factor for comparisons between the numerical simulation results and experimental observations, is the Joule-Thomson heating associated with large pressure drops across the fracture network.

numerical simulation, embedded fractures and boreh↗
NASA NTRS2003

Flutter and Divergence Analysis using the Generalized Aeroelastic Analysis Method

The Generalized Aeroelastic Analysis Method (GAAM) is applied to the analysis of three well-studied checkcases: restrained and unrestrained airfoil models, and a wing model. An eigenvalue iteration procedure is used for converging upon roots of the complex stability matrix. For the airfoil models, exact root loci are given which clearly illustrate the nature of the flutter and divergence instabilities. The singularities involved are enumerated, including an additional pole at the origin for the unrestrained airfoil case and the emergence of an additional pole on the positive real axis at the divergence speed for the restrained airfoil case. Inconsistencies and differences among published aeroelastic root loci and the new, exact results are discussed and resolved. The generalization of a Doublet Lattice Method computer code is described and the code is applied to the calculation of root loci for the wing model for incompressible and for subsonic flow conditions. The error introduced in the reduction of the singular integral equation underlying the unsteady lifting surface theory to a linear algebraic equation is discussed. Acknowledging this inherent error, the solutions of the algebraic equation by GAAM are termed 'exact.' The singularities of the problem are discussed and exponential series approximations used in the evaluation of the kernel function shown to introduce a dense collection of poles and zeroes on the negative real axis. Again, inconsistencies and differences among published aeroelastic root loci and the new 'exact' results are discussed and resolved. In all cases, aeroelastic flutter and divergence speeds and frequencies are in good agreement with published results. The GAAM solution procedure allows complete control over Mach number, velocity, density, and complex frequency. Thus all points on the computed root loci can be matched-point, consistent solutions without recourse to complex mode tracking logic or dataset interpolation, as in the k and p-k solution methods.

Edwards, John W.↗
NASA NTRS1993

An engineering code to analyze hypersonic thermal management systems

Thermal loads on current and future aircraft are increasing and as a result are stressing the energy collection, control, and dissipation capabilities of current thermal management systems and technology. The thermal loads for hypersonic vehicles will be no exception. In fact, with their projected high heat loads and fluxes, hypersonic vehicles are a prime example of systems that will require thermal management systems (TMS) that have been optimized and integrated with the entire vehicle to the maximum extent possible during the initial design stages. This will not only be to meet operational requirements, but also to fulfill weight and performance constraints in order for the vehicle to takeoff and complete its mission successfully. To meet this challenge, the TMS can no longer be two or more entirely independent systems, nor can thermal management be an after thought in the design process, the typical pervasive approach in the past. Instead, a TMS that was integrated throughout the entire vehicle and subsequently optimized will be required. To accomplish this, a method that iteratively optimizes the TMS throughout the vehicle will not only be highly desirable, but advantageous in order to reduce the manhours normally required to conduct the necessary tradeoff studies and comparisons. A thermal management engineering computer code that is under development and being managed at Wright Laboratory, Wright-Patterson AFB, is discussed. The primary goal of the code is to aid in the development of a hypersonic vehicle TMS that has been optimized and integrated on a total vehicle basis.

Vangriethuysen, Valerie J.↗
NASA NTRS2001

HZETRN: neutron and proton production in quasi-elastic scattering of GCR heavy-ions

The development of transport models for radiation shielding design and evaluation has provided a series of deterministic computer codes that describe galactic cosmic radiation (GCR), solar particle events, and experimental beams at particle accelerators. These codes continue to be modified to accommodate new theory and improvements to the particle interaction database (Cucinotta et al., 1994, NASA Technical Paper 3472, US Government Printing Office, Washington DC). The solution employed by the heavy-ion transport code HZETRN was derived with the assumption that nuclear fragments are emitted with the same velocity as the incident ion through velocity conserving nuclear interactions. This paper presents a version of the HZETRN transport code that provides a more realistic distribution of the energy of protons and neutrons emitted from GCR interactions in shields. This study shows that the expected GCR dose equivalent is lower than previously calculated for water shields that are less than 110 g cm-2 thick. Calculations of neutron energy spectra in low Earth orbit indicate substantial contributions from relativistic neutrons. c2001 Elsevier Science Ltd. All rights reseved.

NASA Center LaRC↗
DOE OSTI2022

Anisotropic temperature-dependent elastic constants and thermal conductivities of TRISO particle coatings

Tristructural isotropic (TRISO) particles show great promise as a candidate fuel for use in several next-generation high-temperature nuclear reactor designs due to their structural integrity and fuel performance at high temperatures and burnups. Computational codes exist that can simulate TRISO fuel performance characteristics and failure probabilities under extreme conditions which require knowledge of the TRISO coatings’ thermophysical properties. The thermophysical descriptions of the TRISO particle's layers (i.e., buffer, pyrolytic carbon, and silicon carbide) currently used in fuel performance codes, however, assume that many of these properties are constant with respect to temperature or texture. In this paper, we obtain the full elastic stiffness tensors of the carbon and silicon carbide layers, which have transversely isotropic symmetry. Additionally, the calculated elastic properties of each of the coating layers are in remarkable agreement with the current models at room temperature and correct orientations. Additionally, the textured 3C-SiC layer was found to exhibit novel auxetic behavior above 1500 °C. The anisotropic temperature-dependent thermal conductivities of the carbon layers were calculated using acoustical Grüneisen-Debye theory which are in excellent agreement with current models at room temperature and correct orientations. These texture- and temperature-dependent relationships can be incorporated into the thermophysical description of TRISO particles in order to more accurately model fuel performance and failure probabilities under extreme conditions in forthcoming high-fidelity computational simulations.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The effect of incidence angle on the overall three-dimensional aerodynamic performance of a classical annular airfoil cascade

To be of quantitative value to the designer and analyst, it is necessary to experimentally verify the flow modeling and the numerics inherent in calculation codes being developed to predict the three dimensional flow through turbomachine blade rows. This experimental verification requires that predicted flow fields be correlated with three dimensional data obtained in experiments which model the fundamental phenomena existing in the flow passages of modern turbomachines. The Purdue Annular Cascade Facility was designed specifically to provide these required three dimensional data. The overall three dimensional aerodynamic performance of an instrumented classical airfoil cascade was determined over a range of incidence angle values. This was accomplished utilizing a fully automated exit flow data acquisition and analysis system. The mean wake data, acquired at two downstream axial locations, were analyzed to determine the effect of incidence angle, the three dimensionality of the cascade exit flow field, and the similarity of the wake profiles. The hub, mean, and tip chordwise airfoil surface static pressure distributions determined at each incidence angle are correlated with predictions from the MERIDL and TSONIC computer codes.

Bergsten, D. E.↗
NASA NTRS2006

Processing Raman Spectra of High-Pressure Hydrogen Flames

The Raman Code automates the analysis of laser-Raman-spectroscopy data for diagnosis of combustion at high pressure. On the basis of the theory of molecular spectroscopy, the software calculates the rovibrational and pure rotational Raman spectra of H2, O2, N2, and H2O in hydrogen/air flames at given temperatures and pressures. Given a set of Raman spectral data from measurements on a given flame and results from the aforementioned calculations, the software calculates the thermodynamic temperature and number densities of the aforementioned species. The software accounts for collisional spectral-line-broadening effects at pressures up to 60 bar (6 MPa). The line-broadening effects increase with pressure and thereby complicate the analysis. The software also corrects for spectral interference ("cross-talk") among the various chemical species. In the absence of such correction, the cross-talk is a significant source of error in temperatures and number densities. This is the first known comprehensive computer code that, when used in conjunction with a spectral calibration database, can process Raman-scattering spectral data from high-pressure hydrogen/air flames to obtain temperatures accurate to within 10 K and chemical-species number densities accurate to within 2 percent.

Nguyen, Quang-Viet↗
DOE OSTI2014

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

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

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1997

Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic (Ejector Nozzle) Flows

In spite of the rapid advances in both scalar and parallel computational tools, the large number and breadth of variables involved in aerodynamic systems make the use of parabolized or even boundary layer fluid flow models impractical for both preliminary design and inverse design problems. Given this restriction, we have concluded that reduced or approximate models are an important family of tools for design purposes. This study of a combined perturbation/numerical modeling methodology with an application to ejector-mixer nozzles (shown schematically in the following figure) is nearing completion. The work is being funded by a grant from the NASA Lewis Research Center to Texas A&M University. These ejector-mixer nozzle models are designed to be of use to the High Speed Civil Transport Program and may be adopted by both NASA and industry. A computer code incorporating the ejector-mixer models is under development. This code, the Differential Reduced Ejector/Mixer Analysis (DREA), can be run fast enough to be used as a subroutine or to be called by a design optimization routine. Simplified conservation equations--x-momentum, energy, and mass conservation--are used to define the model. Unlike other preliminary design models, DREA requires minimal empirical input and includes vortical mixing and a fully compressible formulation among other features. DREA is being validated by comparing it with results obtained from open literature and proprietary industry data. Preliminary results for a subsonic ejector and a supersonic ejector are shown. In addition, dedicated experiments have been performed at Texas A&M. These experiments use a hydraulic/gas flow analog to provide information about the inviscid mixing interface structure. Final validation and documentation of this work is expected by May of 1997. However, preliminary versions of DREA can be expected in early 1997. In summary, DREA provides a sufficiently detailed and realistic ejector-mixer nozzle model at a computational cost compatible with preliminary design applications.

DeChant, Lawrence J.↗
DOE OSTI2013

Dry Deposition Velocity Estimation for the Savannah River Site: Part 2 -- Parametric and Site-Specific Analysis

Values for the dry deposition velocity of airborne particles were estimated with the GENII Version 2.10.1 computer code for the Savannah River site using assumptions about surface roughness parameters and particle size and density. Use of the GENII code is recommended by the U.S. Department of Energy for this purpose. Meteorological conditions evaluated include atmospheric stability classes D, E, and F and wind speeds of 0.5, 1.0, 1.5, and 2.0 m/s. Local surface roughness values ranging from 0.03 to 2 meters were evaluated. Particles with mass mean diameters of 1, 5, and 10 microns and densities of 1, 3, 4, and 5 g/cm3 were evaluated. Site specific meteorology was used to predict deposition velocity for Savannah River conditions for a range of distances from 670 to 11,500 meters.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Earth's external magnetic fields at low orbital altitudes

Under our Jun. 1987 proposal, Magnetic Signatures of Near-Earth Distributed Currents, we proposed to render operational a modeling procedure that had been previously developed to compute the magnetic effects of distributed currents flowing in the magnetosphere-ionosphere system. After adaptation of the software to our computing environment we would apply the model to low altitude satellite orbits and would utilize the MAGSAT data suite to guide the analysis. During the first year, basic computer codes to run model systems of Birkeland and ionospheric currents and several graphical output routines were made operational on a VAX 780 in our research facility. Software performance was evaluated using an input matchstick ionospheric current array, field aligned currents were calculated and magnetic perturbations along hypothetical satellite orbits were calculated. The basic operation of the model was verified. Software routines to analyze and display MAGSAT satellite data in terms of deviations with respect to the earth's internal field were also made operational during the first year effort. The complete set of MAGSAT data to be used for evaluation of the models was received at the end of the first year. A detailed annual report in May 1989 described these first year activities completely. That first annual report is included by reference in this final report. This document summarizes our additional activities during the second year of effort and describes the modeling software, its operation, and includes as an attachment the deliverable computer software specified under the contract.

Klumpar, D. M.↗
DOE OSTI2019

Theoretical and computational studies on the scattering of radio frequency waves by fluctuations

The practical and economic viability of tokamak fusion reactors depends, in a significant way, on the efficiency of radio frequency (RF) waves to deliver energy and momentum to the plasma in the core of the reactor. Among the various attributes of RF waves is their ability to heat magnetically confined plasmas, induce plasma currents in an effort to achieve steady state, and modify the current profile so as to control plasma instabilities like the neoclassical tearing modes. The RF electromagnetic waves, excited by antenna structures placed near the wall of a tokamak, have to propagate through the turbulent plasma in the scrape-off layer (SOL) along their path to the core plasma. While the propagation and damping of RF waves in the core is reasonably well understood, the same is not true for RF propagation through the SOL. In present day fusion devices, the radial width of the SOL is of the order of a few centimeters. In ITER and in future fusion reactors this width will be of the order of tens of centimeters. Any deleterious effects on RF waves due to plasma turbulence in the SOL has to be properly understood in order to optimize the delivery of RF energy and momentum into the core. This paper is on a multi-pronged approach that is being pursued to quantify the effect of SOL plasma on RF waves. The SOL is composed of coherent filamentary, or blob like, structures and incoherent fluctuations. For coherent structures a full-wave theoretical model has been developed. This model is used to benchmark computational codes that are subsequently used to study general distribution of filaments, thereby extending the range of the theoretical formulation. For incoherent fluctuations, a common approach towards quantifying the effects of turbulence is the Kirchhoff technique. This technique is based on physical optics and the wave fields at any point on a spatially varying surface are approximated to be the same as the fields on a tangent plane at that point. The results from the theoretical analysis are compared with full-wave numerical simulations for incoherent fluctuations. The final part of these studies is to construct the effective permittivity of a turbulent plasma that is a mix of coherent and incoherent fluctuations. Towards this end, the ``effective medium approximation'' is being used to construct the permittivity of the turbulent plasma that will be used in full-wave and physical optics studies of scattering. All these approaches are distinctly different from previous studies on the RF wave propagation through turbulent plasmas. The theory and computations discussed in this paper apply to RF waves in any frequency range and for arbitrary variations in density, and reveal new and important physical insights into the scattering of RF waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗