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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

GDSA Framework Development and Process Model Integration FY2022

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is disposal system modeling (Sassani et al. 2021). The SFWST Geologic Disposal Safety Assessment (GDSA) work package is charged with developing a disposal system modeling and analysis capability for evaluating generic disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2022 advances of the Geologic Disposal Safety Assessment (GDSA) performance assessment (PA) development groups of the SFWST Campaign. The common mission of these groups is to develop a geologic disposal system modeling capability for nuclear waste that can be used to assess probabilistically the performance of generic disposal options and generic sites. The modeling capability under development is called GDSA Framework (pa.sandia.gov). GDSA Framework is a coordinated set of codes and databases designed for probabilistically simulating the release and transport of disposed radionuclides from a repository to the biosphere for post-closure performance assessment. Primary components of GDSA Framework include PFLOTRAN to simulate the major features, events, and processes (FEPs) over time, Dakota to propagate uncertainty and analyze sensitivities, meshing codes to define the domain, and various other software for rendering properties, processing data, and visualizing results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

User's Manual for RESRAD-BUILD Code Version 4: Vol. 2 - User's Guide for RESRAD-BUILD Code Version 4

The RESRAD-BUILD computer code is designed to assess radiological doses to individuals who live or work in a building contaminated with radioactive material. The code is equipped with a user-friendly interface that has many features to facilitate using the computer code and understanding the results. The design of the interface provides various options, from entering data and performing calculations to displaying calculation results. General and context-specific help are available, providing information on editing and viewing the radionuclide database, the definitions of input parameters and their use in the calculations, and the selection of the calculation results for placement into other applications. Two types of sensitivity analysis are supported by the code, i.e., deterministic and probabilistic, that can be used to study the influence of input parameters on the calculation results. This user’s guide provides instructions to help users on how to install the RESRAD-BUILD code, navigate the interface, and use the various features to set up a dose/risk analysis and to view/print the results in text and graphical outputs.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Application of the new IAPWS Guideline on the fast and accurate calculation of steam and water properties with the Spline-Based Table Look-Up Method (SBTL) in RELAP-7

The numerical simulation of thermalhydraulic processes in nuclear power plants requires very accurate and extremely fast algorithms for calculating the thermophysical properties of water and steam. In order to provide such algorithms, the International Association for the Properties of Water and Steam (IAPWS) has adopted the new “IAPWS Guideline on the Fast Calculation of Steam and Water Properties with the Spline-Based Table Look-Up Method (SBTL)”. In this article, the SBTL method is applied to property functions of specific volume and specific internal energy (v,e) based on the scientific formulation IAPWS-95 and the latest IAPWS formulations for transport properties. From the newly generated SBTL functions, thermodynamic and transport properties as well as their derivatives and inverse functions are calculable in the fluid range of state for pressures up to 100 MPa and for temperatures up to 1273 K, including the metastable liquid and the metastable vapor regions. The SBTL functions reproduce the underlying formulations with an accuracy of 10–100 ppm and significantly reduced computing times. The SBTL method has been implemented into the nuclear reactor system safety analysis code RELAP-7 [2] to consider the real fluid behavior of water and steam in a novel 7-equation two-phase flow model.

42 ENGINEERING↗
DOE OSTI2018

Mode Conversion Losses in Expansion Units for ITER ECH Transmission Lines

The ITER electron cyclotron heating transmission lines will consist of 63.5 mm diameter corrugated waveguides, each carrying 1 MW of 170 GHz microwaves. These transmission lines must include expansion units to accommodate expansion and contraction along the path from the gyrotron microwave sources to the tokamak. A numerical mode matching code has been developed to calculate power losses due to mode conversion of the operating mode, HE11, to higher order modes as a result of the radial discontinuities in a sliding joint. Two expansion unit designs were evaluated, a simple gap expansion unit and a more complex tapered expansion unit. The gap expansion unit demonstrated loss that oscillated rapidly with expansion length, due to trapped modes within the unit. The tapered expansion unit has been shown to effectively suppress these trapped modes at the expense of increased fabrication complexity. In a gap expansion unit, for a waveguide step size of 2.5 mm, loss can be kept below 0.1% to a maximum expansion length of 17 mm. Expansion units without corrugation on interior walls were also evaluated. Expansion units that lack corrugations are found to increase mode trapping within the units, though not beyond useful application. The mode matching code developed in this paper was also used to estimate mode conversion loss in vacuum pumpouts for the ECH lines; the estimated loss was found to be negligibly small.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

BISON modeling of reactivity-initiated accident experiments in a static environment

In conjunction with the restart of the TREAT reactor and the design of test vehicles, modeling and simulation efforts are being used to model the response of Accident Tolerant Fuel (ATF) concepts under reactivity-initiated accident (RIA) conditions. The purpose of this work is to model a baseline case of a 10 cm long UO{sub 2}- Zircaloy fuel rodlet in the Multi-SERTTA capsule in PWR conditions, using BISON and RELAP5 over a range of energy depositions and with varying reactor power pulse widths. The results provide an initial best estimate of fuel performance modeling during a RIA event in TREAT with a focus on the effect of varying the pulse width and energy deposition on both thermal and mechanical parameters that are important for predicting failure of the fuel rodlet. The combined BISON/RELAP5 model captures coupled thermal and mechanical effects on the fuel-to-cladding gap conductance, cladding-to-coolant heat transfer coefficient and water temperature and pressure that would not be capable in each code individually. These combined effects allow for a more accurate modeling of the thermal and mechanical response in the fuel rodlet and thermal-hydraulics of the test vehicle. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Monte Carlo Estimates of Eigenvalue Sensitivity to System Dimensions using Kernel Density Estimators

In the last decade there has been an increasing interest in calculating sensitivity coefficients in order to quantify the impact of uncertainty in material properties and system parameters on quantities of interest. Extensive work has been done developing Monte Carlo methods to estimate eigenvalue sensitivity to material properties. While deterministic methods exist for determining the eigenvalue sensitivity to system dimensions, the use of Monte Carlo methods to efficiently calculate eigenvalue sensitivity coefficients to system dimensions is still an open topic. Current Monte Carlo methods for calculating eigenvalue sensitivity coefficients to system dimensions are inefficient. Direct Monte Carlo perturbations require two additional simulations of high statistical precision in order to determine the eigenvalue sensitivity to the location of a single boundary. If the sensitivity to the location of multiple surfaces are desired, two additional simulations must be run for each surface. Kiedrowski and Favorite extended continuous energy Monte Carlo methods for sensitivities of nuclear cross sections to calculate sensitivities to interface boundaries or system dimensions to create the only current alternative to direct Monte Carlo calculations. However this method relies on the simulation of additional random walks launched at each surface crossing event. The present method extends upon Kiedrowski's work and eliminates the inefficient portions of the calculation through the use of Kernel Density Estimators (KDEs). The new method efficiently estimates eigenvalue sensitivities to the uniform expansion or contraction of material interface boundaries or system dimensions, negligibly impacting the runtime performance of the Monte Carlo code. The new estimator is tested on bare and reflected critical configurations in spherical geometry and is compared to estimates obtained from direct Monte Carlo perturbations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Simulation of nonlinear propagation of biomedical ultrasound using PZFlex and the KZK Texas code

In biomedical ultrasound nonlinear acoustics can be important in both diagnostic and therapeutic applications and robust simulations tools are needed in the design process but also for day-to-day use such as treatment planning. For most biomedical application the ultrasound sources generate focused sound beams of finite amplitude. The KZK equation is a common model as it accounts for nonlinearity, absorption and paraxial diffraction and there are a number of solvers available, primarily developed by research groups. We compare the predictions of the KZK Texas code (a finite-difference time-domain algorithm) to an FEM-based commercial software, PZFlex. PZFlex solves the continuity equation and momentum conservation equation with a correction for nonlinearity in the equation of state incorporated using an incrementally linear, 2nd order accurate, explicit algorithm in time domain. Nonlinear ultrasound beams from two transducers driven at 1 MHz and 3.3 MHz respectively were simulated by both the KZK Texas code and PZFlex, and the pressure field was also measured by a fibre-optic hydrophone to validate the models. Further simulations were carried out a wide range of frequencies. The comparisons showed good agreement for the fundamental frequency for PZFlex, the KZK Texas code and the experiments. For the harmonic components, the KZK Texas code was in good agreement with measurements but PZFlex underestimated the amplitude: 32% for the 2nd harmonic and 66% for the 3rd harmonic. The underestimation of harmonics by PZFlex was more significant when the fundamental frequency increased. Furthermore non-physical oscillations in the axial profile of harmonics occurred in the PZFlex results when the amplitudes were relatively low. These results suggest that careful benchmarking of nonlinear simulations is important.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

QA/QC-ed Groundwater Level Time Series in PLM-1 and PLM-6 Monitoring Wells, East River, Colorado (2016-2022)

This data set contains QA/QC-ed (Quality Assurance and Quality Control) water level data for the PLM1 and PLM6 wells. PLM1 and PLM6 are location identifiers used by the Watershed Function SFA project for two groundwater monitoring wells along an elevation gradient located along the lower montane life zone of a hillslope near the Pumphouse location at the East River Watershed, Colorado, USA. These wells are used to monitor subsurface water and carbon inventories and fluxes, and to determine the seasonally dependent flow of groundwater under the PLM hillslope. The downslope flow of groundwater in combination with data on groundwater chemistry (see related references) can be used to estimate rates of solute export from the hillslope to the floodplain and river. QA/QC analysis of measured groundwater levels in monitoring wells PLM-1 and PLM-6 included identification and flagging of duplicated values of timestamps, gap filling of missing timestamps and water levels, removal of abnormal/bad and outliers of measured water levels. The QA/QC analysis also tested the application of different QA/QC methods and the development of regular (5-minute, 1-hour, and 1-day) time series datasets, which can serve as a benchmark for testing other QA/QC techniques, and will be applicable for ecohydrological modeling. The package includes a Readme file, one R code file used to perform QA/QC, a series of 8 data csv files (six QA/QC-ed regular time series datasets of varying intervals (5-min, 1-hr, 1-day) and two files with QA/QC flagging of original data), and three files for the reporting format adoption of this dataset (InstallationMethods, file level metadata (flmd), and data dictionary (dd) files).QA/QC-ed data herein were derived from the original/raw data publication available at Williams et al., 2020 (DOI: 10.15485/1818367). For more information about running R code file (10.15485_1866836_QAQC_PLM1_PLM6.R) to reproduce QA/QC output files, see README (QAQC_PLM_readme.docx). This dataset replaces the previously published raw data time series, and is the final groundwater data product for the PLM wells in the East River. Complete metadata information on the PLM1 and PLM6 wells are available in a related dataset on ESS-DIVE: Varadharajan C, et al (2022). https://doi.org/10.15485/1660962. These data products are part of the Watershed Function Scientific Focus Area collection effort to further scientific understanding of biogeochemical dynamics from genome to watershed scales. 2022/09/09 Update: Converted data files using ESS-DIVE’s Hydrological Monitoring Reporting Format. With the adoption of this reporting format, the addition of three new files (v1_20220909_flmd.csv, V1_20220909_dd.csv, and InstallationMethods.csv) were added. The file-level metadata file (v1_20220909_flmd.csv) contains information specific to the files contained within the dataset. The data dictionary file (v1_20220909_dd.csv) contains definitions of column headers and other terms across the dataset. The installation methods file (InstallationMethods.csv) contains a description of methods associated with installation and deployment at PLM1 and PLM6 wells. Additionally, eight data files were re-formatted to follow the reporting format guidance (er_plm1_waterlevel_2016-2020.csv, er_plm1_waterlevel_1-hour_2016-2020.csv, er_plm1_waterlevel_daily_2016-2020.csv, QA_PLM1_Flagging.csv, er_plm6_waterlevel_2016-2020.csv, er_plm6_waterlevel_1-hour_2016-2020.csv, er_plm6_waterlevel_daily_2016-2020.csv, QA_PLM6_Flagging.csv). The major changes to the data files include the addition of header_rows above the data containing metadata about the particular well, units, and sensor description. 2023/01/18 Update: Dataset updated to include additional QA/QC-ed water level data up until 2022-10-12 for ER-PLM1 and 2022-10-13 for ER-PLM6. Reporting format specific files (v2_20230118_flmd.csv, v2_20230118_dd.csv, v2_20230118_InstallationMethods.csv) were updated to reflect the additional data. R code file (QAQC_PLM1_PLM6.R) was added to replace the previously uploaded HTML files to enable execution of the associated code. R code file (QAQC_PLM1_PLM6.R) and ReadMe file (QAQC_PLM_readme.docx) were revised to clarify where original data was retrieved from and to remove local file paths.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

PCI margin analysis methodology using the FALCON fuel performance code

ANATECH Corp., a wholly owned subsidiary of Structural Integrity Associates, Inc. has been at the forefront of PCI (pellet-cladding interaction) margin analyses as principal author of the EPRI PCI Guidelines documents and through the performance of numerous PCI margin evaluations for light-water reactors. In this paper, ANATECH first provides a discussion of specific features of the methodology developed over a number of years of application including a) selection of limiting assemblies for the detailed FALCON full length fuel rod (i.e., R-Z model) and PCI (i.e., R-θ model) evaluations, b) development of FALCON input characteristics including high fidelity rod-by-rod power histories, and c) application of failure criteria and remedies to the core designer in the case where the criteria are exceeded. Second, ANATECH provides guidance based on evaluations performed to-date. Analysis results are presented to show critical aspects of the evaluations and how they are used to provide insights to inform and improve commercial plant operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Demonstration of LOTUS multiphysics BEPU analysis framework for LB-LOCA simulations

The LOCA Toolkit for U.S. light water reactors (LOTUS) currently under development at Idaho National Labs (INL) is a plug and play, multiphysics environment to be used in support of system level plant transient analysis. New proposed rule changes in LOCA safety regulations (10 CFR 50.46c) require the inclusion of cladding hydrogen content in the evaluation of equivalent cladding reacted (ECR) and peak cladding temperature (PCT). The potential for a future implementation of said rule change motivates the current development of a unique union of core design, system analysis, and fuel performance codes within a framework allowing for uncertainty quantification (UQ). A demonstration of LOTUS capabilities to address this potential need is performed with an integration of the core design code PHISICS, the fuel performance code FRAPCON, and the system analysis code RELAP5-3D. UQ is performed via Wilks’ method to compute the one sided 95/95 confidence values of the aforementioned safety metrics. Results demonstrate the benefits of the Multiphysics Best Estimate Plus Uncertainty (MP-BEPU) methodology and provide useful visualization of the limiting cases.

10CFR50.46c↗
DOE OSTI2024

${\tt Warm}$SPy: a numerical study of cosmological perturbations in warm inflation

We present ${\tt Warm}$SPy, a numerical code in Python designed to solve for the perturbations' equations in warm inflation models and compute the corresponding scalar power spectrum at CMB horizon crossing. In models of warm inflation, a radiation bath of temperature T during inflation induces a dissipation (friction) rate of strength Q ∝ T c /Φ m in the equation of motion for the inflaton field Φ. While for a temperature-independent dissipation rate (c = 0) an analytic expression for the scalar power spectrum exists, in the case of a non-zero value for c the set of equations can only be solved numerically. For c > 0 (c < 0), the coupling between the perturbations in the inflaton field and radiation induces a growing (decaying) mode in the scalar perturbations, generally parameterized by a multiplicative function G(Q) which we refer to as the scalar dissipation function. Using ${\tt Warm}$SPy, we provide an analytic fit for G(Q) for the cases of c = {3,1,-1}, corresponding to three cases that have been realized in physical models. Compared to previous literature results, our fits are more robust and valid over a broader range of dissipation strengths Q ϵ [10 -7 ,10 4 ]. Additionally, for the first time, we numerically assess the stability of the scalar dissipation function against various model parameters, inflationary histories as well as the effects of metric perturbations. As a whole, the results do not depend appreciably on most of the parameters in the analysis, except for the dissipation index c, providing evidence for the universal behaviour of the scalar dissipation function G(Q).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Semi-analytic model of magnetized liner inertial fusion

The code that was developed is called SAMM (Semi-Analytic MagLIF Model). In 2015, McBride and Slutz published all of the equations that are solved by the code in the original SAMM paper: R. D. McBride and S. A. Slutz, ?A semi-analytic model of magnetized liner inertial fusion?, Phys. Plasmas 22, 052708 (2015); http://doi.org/10.1063/1.4918953. The SAMM code is now implemented in both the MATLAB and Python programming languages. Students from multiple universities have requested copies of the code so that they can become more familiar with the MagLIF concept. We would like to seek an open-source solution. There is no market value to this code, as there are plenty of more sophisticated simulation codes already available; SAMM is merely a simplified model that is purely for educational purposes. In fact, at least one graduate student (from the University of California, San Diego) has already implemented and published his own modified version of the model: J. Narkis, H. U. Rahman, J. C. Valenzuela, F. Conti, R. D. McBride, D. Venosa, and F. N. Beg, ?A semi-analytic model of gas-puff liner-on-target magneto-inertial fusion?, Phys. Plasmas 26, 032708 (2019); https://doi.org/10.1063/1.5086056. SAND2020-12244 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Moore, Thomas↗
DOE OSTI2017

Report on FY17 testing in support of integrated EPP-SMT design methods development

The goal of the proposed integrated Elastic Perfectly-Plastic (EPP) and Simplified Model Test (SMT) methodology is to incorporate a SMT data-based approach for creep-fatigue damage evaluation into the EPP methodology to avoid the separate evaluation of creep and fatigue damage and eliminate the requirement for stress classification in current methods; thus greatly simplifying evaluation of elevated temperature cyclic service. The purpose of this methodology is to minimize over-conservatism while properly accounting for localized defects and stress risers. To support the implementation of the proposed methodology and to verify the applicability of the code rules, thermomechanical tests continued in FY17. This report presents the recent test results for Type 1 SMT specimens on Alloy 617 with long hold times, pressurization SMT on Alloy 617, and two-bar thermal ratcheting test results on SS316H at the temperature range of 405 °C to 705 °C. Preliminary EPP strain range analysis on the two-bar tests are critically evaluated and compared with the experimental results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Modified 316H constitutive model updated with high temperature stress relaxation test data

This report describes the calibration of a new high temperature constitutive model for 316H stainless steel, suitable for use with the ASME Boiler & Pressure Vessel Section III, Division 5, Class A rules for design by inelastic analysis. The model retains the same mathematical form used by the reference model included in Nonmandatory Appendix Z of the Code, but refits the model to an expanded dataset including all the data used to fit the original model plus seven new stress relaxation tests. The addition of these high temperature stress relaxation tests improves the model's accuracy in predicting relaxation at temperatures greater than 700 ⁰C, without compromising the accuracy of the model versus the original calibration data.

36 MATERIALS SCIENCE↗
DOE OSTI2016

use of cross-section covariance information in uncertainty analysis at modeling HTGR neutron physics - 18551

This work is aimed at improvement of high temperature gas cooled reactors (HTGR) neutron physics design calculations by application of uncertainty analysis with the use of cross-section covariance information. Methodology and codes for preparation of multigroup libraries of covariance information for individual isotopes from the basic 44-group binary library of SCALE-6 code system were developed. A 69-group library of covariance information in a special format for main isotopes and elements typical for HTGR was generated. This library can be used for estimation of uncertainties associated with nuclear data in analysis of HTGR neutron physics with design codes. As an example, calculations of one-group cross-section uncertainties for fission and capture reactions for main isotopes of the MHTGR-350 benchmark, as well as uncertainties of the multiplication factor (k{sub ∞}) for the MHTGR-350 fuel compact cell model and fuel block model were performed. These uncertainties were estimated by the developed technology with the use of WIMS-D code (technology SUW) and modules of SCALE-6 code system, namely, by TSUNAMI, KENO-VI and SAMS. The eight most important reactions on isotopes for MHTGR-350 benchmark were identified, namely: {sup 10}B(capt), {sup 238}U(n,γ), ν{sub 5}, {sup 235}U(n,γ), {sup 238}U(el), {sup nat}C(el), {sup 235}U(fiss)-{sup 235}U(n,γ) and {sup 235}U(fiss). It is shown that the main contribution in the uncertainty of multiplication factor of the fuel block model gives the reaction {sup 10}B(capt) ((n,α)+(n,γ)). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Review of the 10 th Non-LTE Code Comparison Workshop

This work reports on the results of the 10 th Non-LTE code comparison workshop, which was held at the University of San Diego campus November 28 through December 1, 2017. Non-equilibrium collisional-radiative models predict the electronic state populations and attendant emission and absorption characteristics of hot, dense matter and are used to help design and diagnose high-energy-density experiments. At this workshop, fifteen codes from eleven institutions contributed results for steady-state and time-dependent neon, aluminum, silicon, and chlorine cases relevant to a variety of high-density experimental and radiation-driven astrophysical systems. We focus on differences in the predictions from codes with different internal structure, completeness, density effects, and rate fidelity and the impact of those differences on hot, dense plasma diagnostics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Warp-X: A new exascale computing platform for beam–plasma simulations

Turning the current experimental plasma accelerator state-of-the-art from a promising technology into mainstream scientific tools depends critically on high-performance, high-fidelity modeling of complex processes that develop over a wide range of space and time scales. As part of the U.S. Department of Energy's Exascale Computing Project, a team from Lawrence Berkeley National Laboratory, in collaboration with teams from SLAC National Accelerator Laboratory and Lawrence Livermore National Laboratory, is developing a new plasma accelerator simulation tool that will harness the power of future exascale supercomputers for high-performance modeling of plasma accelerators. We present the various components of the codes such as the new Particle-In-Cell Scalable Application Resource (PICSAR) and the redesigned adaptive mesh refinement library AMReX, which are combined with redesigned elements of the Warp code, in the new WarpX software. Lastly, the code structure, status, early examples of applications and plans are discussed.

43 PARTICLE ACCELERATORS↗