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DOE OSTI2026

Titanium alloy response sensitivity to variations in spectral reconstructions of National Ignition Facility xenon line-emission x-ray sources

Thermomechanical shock experiments on the National Ignition Facility (NIF) aim to study high strain rate dynamic material response. In such experiments, the NIF laser is used to generate high fluence x-ray emission sources, which irradiate material samples of interest. Under sufficiently high x-ray energy deposition, thermomechanical impulses are generated in the materials. While it is known that the characteristics of x-ray generated impulses vary as a function of incident x-ray spectra, it remains unclear how spectral assumptions and uncertainties in NIF spectral reconstructions affect our interpretation of impulsive loading. Here, in this paper, we simulate the response of a standard titanium alloy baseline sample to synthetic analytically derived and measured NIF xenon line-emission x-ray sources with a radiation hydrodynamics code. We vary the source spectral characteristics based on different source reconstruction techniques to understand the resulting variation in baseline sample response and compare the simulated response with experimental results. We find that the response is highly sensitive to assumptions made about the spectral contents and that knowledge of spectral uncertainties bounds our understanding of the resulting material response. The results of this effort help to extend our ability to use baseline material samples to extract quantitative properties from x-ray experiments on the NIF.

Alloys↗

DOE OSTI2016

SU-F-T-28: Evaluation of BEBIG HDR Co-60 After-Loading System for Skin Cancer Treatment Using Conical Surface Applicator

Purpose: To evaluate the possibility of utilizing the BEBIG HDR 60Co remote after-loading system for malignant skin surface treatment using Monte Carlo (MC) simulation technique. Methods: First TG-43 parameters of BEBIG-Co-60 and Nucletron Ir-192-mHDR-V2 brachytherapy sources were simulated using MCNP6 code to benchmark the sources against the literature. Second a conical tungsten-alloy with 3-cm diameter of Planning-Target-Volume (PTV) at surface for use with a single stepping HDR source is designed. The HDR source is modeled parallel to treatment plane at the center of the conical applicator with a source surface distance (SSD) of 1.5-cm and a removable plastic end-cap with a 1-mm thickness. Third, MC calculated dose distributions from HDR Co-60 for conical surface applicator were compared with the simulated data using HDR Ir-192 source. The initial calculations were made with the same conical surface applicator (standard-applicator) dimensions as the ones used with the Ir-192 system. Fourth, the applicator wall-thickness for the Co-60 system was increased (doubled) to diminish leakage dose to levels received when using the Ir-192 system. With this geometry, percentage depth dose (PDD), and relative 2D-dose profiles in transverse/coronal planes were normalized at 3-mm prescription-depth evaluated along the central axis. Results: PDD for Ir-192 and Co-60 were similar with standard and thick-walled applicator. 2D-relative dose distribution of Co-60, inside the standard-conical-applicator, generated higher penumbra (7.6%). For thick-walled applicator, it created smaller penumbra (<4%) compared to Ir-192 source in the standard-conicalapplicator. Dose leakage outside of thick-walled applicator with Co-60 source was approximately equal (≤3%) with standard applicator using Ir-192 source. Conclusion: Skin cancer treatment with equal quality can be performed with Co-60 source and thick-walled conical applicators instead of Ir-192 with standard applicators. These conical surface applicator must be used with a protective plastic end-cap to eliminate electron contamination and over-dosage of the skin.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

shiftNMFk 1.1: Robust Nonnegative matrix factorization with kmeans clustering and signal shift, for allocation of unknown physical sources, toy version for open sourcing with publications

This code is a toy (short) version of CODE-2016-83. From a general perspective, the code represents an unsupervised adaptive machine learning algorithm that allows efficient and high performance de-mixing and feature extraction of a multitude of non-negative signals mixed and recorded by a network of uncorrelated sensor arrays. The code identifies the number of the mixed original signals and their locations. Further, the code also allows deciphering of signals that have been delayed in regards to the mixing process in each sensor. This code is high customizable and it can be efficiently used for a fast macro-analyses of data. The code is applicable to a plethora of distinct problems: chemical decomposition, pressure transient decomposition, unknown sources/signal allocation, EM signal decomposition. An additional procedure for allocation of the unknown sources is incorporated in the code.

Alexandrov, BoianS.↗

DOE OSTI2016

shiftNMFk 1.1: Robust Nonnegative matrix factorization with kmeans clustering and signal shift, for allocation of unknown physical sources, toy version for open sourcing with publications

Alexandrov, Boian S.↗

DOE OSTI2018

PFLOTRAN-RepoTREND Source Term Comparison Summary.

Code inter-comparison studies are useful exercises to verify and benchmark independently developed software to ensure proper function, especially when the software is used to model high-consequence systems which cannot be physically tested in a fully representative environment. This summary describes the results of the first portion of the code inter-comparison between PFLOTRAN and RepoTREND, which compares the radionuclide source term used in a typical performance assessment.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Development of an Integrated Mechanistic Source Term Assessment Capability for Lead- and Sodium-Cooled Fast Reactors

The scope of this project entails development of mechanistic source term assessment capabilities to inform and guide plant design activities and to support license applications. The main objective of this project is to couple NL’s SAS4A safety analysis code with the FAI’s FATE facility modeling code for mechanistic source term assessments in liquid-metal-cooled fast reactors. The end product is a coupled SAS4A-FATE code system for integrated mechanistic source term assessments and Level-2 PRA as the precursor for off-site dispersion analyses (Level-3 PRA). The SAS4A code is used to model system transients with fuel failures and its results are linked to the FATE code to predict radionuclide transport through the reactor vessel cover gas and containment system. The integrated code package offers a state-of-the-art radionuclide tracking capability for a spectrum of accident scenarios consistent with the plant dynamic response including the reactivity feedback to support Probabilistic Risk Assessments (PRA).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

Nonlinear Optimization in "Synchrotron Radiation Workshop" Code

"Synchrotron Radiation Workshop" (SRW) is an open source physical optics computer code for calculation of detailed characteristics of Synchrotron Radiation (SR) generated by relativistic electrons in magnetic fields of arbitrary configuration. SRW also supports high-accuracy simulations of fully- and partially-coherent radiation propagation through X-ray optical beamlines, facilitated by so-called “Virtual Beamline” module. In this present tech note, we discuss the nonlinear optimization features of SRW with emphasis on the optimization library in SRW. This optimization library not only can be used to optimize the simulation beamline in SRW, it also can be integrated with real beamline operations and optimize the parameters based on real measurements. We also show some demos of the optimization library recently developed in SRW.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Recent Advances in the Use of TRIPOLI-4 Monte Carlo Code for Radiation Protection and Shielding Calculations - Paper 47

TRIPOLI-4 is a general purpose radiation transport code. It uses the continuous-energy Monte Carlo method to simulate neutron, photon, electron and positron transport in three-dimensional geometries. The main application areas of TRIPOLI-4 code include radiation protection and shielding, fission reactor physics, nuclear criticality safety, fusion reactor design, and nuclear instrumentation. For the radiation protection and shielding calculations with TRIPOLI-4 code, miscellaneous radiation sources options, various variance reduction options, and many useful tally options are available. Perturbation calculations on material densities and nuclide concentrations are routinely used in radiation protection applications. Parallel calculations with TRIPOLI-4 are also easy to perform with a PC under the linux/unix OS. To help the users to get the feedback from their test runs during the input data preparation and adjustment and to analyze the intermediate and final results from their production runs, several user-interface tools have been introduced. By using some application cases in the fields of radiation shielding, radiation dosimetry, and gamma spectrometry, this paper summarizes and demonstrates some essential improvements and possibilities in the use of TRIPOLI-4 code on fixed source calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

A Finite Element Model for Simulation of Carbon Dioxide Sequestration

We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Delayed Gamma Signature Accounting for Field Line Transport of Debris Ions after a Nuclear Explosion

Delayed gammas (DGs) are produced by the decay of radioactive fission fragments after a nuclear explosion. Currently, the time and energy profile of the delayed gamma signal is propagated in DIORAMA to the GEO satellite sensors by assuming a point source at the burst location for the production of the delayed gammas. However, in reality the production of delayed gammas is spread over some spatial extent. First, the debris ions are confined within an expanding region by the magnetic field and/or surrounding plasma. This expanding confinement bubble eventually collapses, at which point the debris ions can be trapped on magnetic field lines and transported away from the original burst location. In this work the effects of debris ion transport on the associated time profile of delayed gammas at a GEO satellite is presented. The first step was the development of the Delayed Gamma Source Model (DGSM), which is based on the analytical Electron Source Model (ESM) code developed at LANL that models the spatial distribution of energetic electrons produced after a high-altitude nuclear explosion (HANE) for use as a source term in LANL artificial belt diffusion code. This model creates a spatial grid in latitude, longitude, and altitude of the distribution of radioactive debris ions. The output of this code is combined with a separate analysis code also described, which produces the DG time profile signature at a GEO sensor faceplate when accounting for the spatial spread of delayed gamma production during field line transport. Some simple case studies are presented to show how the DG signature at GEO calculated with this higher-fidelity model and a simple point-source model, as is currently assumed in DIORAMA, compare.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

A Study on Establishment of Scenario Considering to Location and Treatment for Waste Tracking System

Radioactive waste of domestic generated KAERI, KHNP and KNFC etc. Agency of radioactive waste generation have each waste tracking system and waste streaming. We need to establish integrated waste classification for waste tracking and management efficiency. This study main point is the integration of radioactive waste classification and the cording of domestic generators, waste disposal site, etc. We also created a scenario through this coding. First, This study was able to identify the status of domestic radioactive Waste Tracking System. Second, through this study, WTS scenarios were prepared by analyzing each waste management agency and transportation report. If WTS scenario establish from integration of waste streaming, it will be possible tracking, back tracking and management of radioactive waste more efficiency. Third, This study coded all the sources of radioactive waste generators, acceptor agency, waste classification and treatment. Using this code, we tracking the scenario from generator to acceptor and display it as bar-code. Also, if we later convert this bar-code to a Qr-code, it thought that it will be easier tracking radioactive waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

ThinCurr: An open-source 3D thin-wall eddy current modeling code for the analysis of large-scale systems of conducting structures

In this paper we present a new thin-wall eddy current modeling code, ThinCurr, for studying inductively-coupled currents in 3D conducting structures -- with primary application focused on the interaction between currents flowing in coils, plasma, and conducting structures of magnetically-confined plasma devices. The code utilizes a boundary finite element method on an unstructured, triangular grid to accurately capture device structures. The new code, part of the broader Open FUSION Toolkit, is open-source and designed for ease of use without sacrificing capability and speed through a combination of Python, Fortran, and C/C++ components. Scalability to large models is enabled through use of hierarchical off-diagonal low-rank compression of the inductance matrix, which is otherwise dense. Ease of handling large models of complicated geometry is further supported by automatic determination of supplemental elements through a greedy homology approach. Here, a detailed description of the numerical methods of the code and verification of the implementation of those methods using cross-code comparisons against the VALEN code and Ansys commercial analysis software is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Evaluation of simulated HPGe detector efficiencies in OpenMC compared to MCNP

In late 2023, the open-source radiation transport code OpenMC introduced a pulse-height tally (PHT) feature, enabling users to track the total energy deposited by individual photons in OpenMC cells. This function represents an important improvement of the OpenMC code because it allows users to simulate the response function of a gamma detector without relying on closed-source alternatives. Despite this, limited work has been published evaluating OpenMC as a radiation transport code for simulating gamma spectroscopy experiments. This study attempts to demonstrate the usefulness of OpenMC in this space by directly comparing its PHT output to MCNP (a trusted industry-standard Monte Carlo code). In the first half of this study, a radiation transport experiment is described in which a detector with a complex internal geometry is exposed to various gamma-emitting isotopes ( 133 Ba, 137 Cs, and 60 Co) over a range of distances. The setup of this experiment was modeled in MCNP with sufficient detail to capture the efficiency characteristics of a high purity germanium (HPGe) detector for the primary gammas of each isotope. After good agreement between the MCNP model and experiment was achieved, an identical model was produced in OpenMC to allow direct comparison between the full energy peak (FEP) values produced in OpenMC and MCNP. The results show strong agreement between OpenMC and MCNP across the full range of tested energies, with each model’s FEP values typically within 2% of each other and most FEP areas within 4% of experimental data. Worse agreement was seen between the Monte Carlo codes and experiment below 300 keV (an expected result). For the 662 keV line of 137 Cs, both codes were found in poor agreement with experiment and each other over the full range of distances tested (possibly indicating an error with the 137 Cs experimental data). Ignoring the anomalous results of the 662 keV line, all other data show good qualitative and quantitative agreement between MCNP and OpenMC. This result demonstrates the accuracy of OpenMC’s PHT feature for spectroscopic applications in which detector efficiency is a primary concern.

07 - ISOTOPES AND RADIATION SOURCES↗

DOE OSTI2014

SU-E-T-278: Realization of Dose Verification Tool for IMRT Plan Based On DPM

Purpose: To build a Monte Carlo dose verification tool for IMRT Plan by implementing a irradiation source model into DPM code. Extend the ability of DPM to calculate any incident angles and irregular-inhomogeneous fields. Methods: With the virtual source and the energy spectrum which unfolded from the accelerator measurement data,combined with optimized intensity maps to calculate the dose distribution of the irradiation irregular-inhomogeneous field. The irradiation source model of accelerator was substituted by a grid-based surface source. The contour and the intensity distribution of the surface source were optimized by ARTS (Accurate/Advanced Radiotherapy System) optimization module based on the tumor configuration. The weight of the emitter was decided by the grid intensity. The direction of the emitter was decided by the combination of the virtual source and the emitter emitting position. The photon energy spectrum unfolded from the accelerator measurement data was adjusted by compensating the contaminated electron source. For verification, measured data and realistic clinical IMRT plan were compared with DPM dose calculation. Results: The regular field was verified by comparing with the measured data. It was illustrated that the differences were acceptable (<2% inside the field, 2–3mm in the penumbra). The dose calculation of irregular field by DPM simulation was also compared with that of FSPB (Finite Size Pencil Beam) and the passing rate of gamma analysis was 95.1% for peripheral lung cancer. The regular field and the irregular rotational field were all within the range of permitting error. The computing time of regular fields were less than 2h, and the test of peripheral lung cancer was 160min. Through parallel processing, the adapted DPM could complete the calculation of IMRT plan within half an hour. Conclusion: The adapted parallelized DPM code with irradiation source model is faster than classic Monte Carlo codes. Its computational accuracy and speed satisfy the clinical requirement, and it is expectable to be a Monte Carlo dose verification tool for IMRT Plan. Strategic Priority Research Program of the China Academy of Science(XDA03040000); National Natural Science Foundation of China (81101132)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

MONTE CARLO CROSS SECTION LOOKUP KERNEL FOR THE CEREBRAS WSE-2 IN CSL

This is a small kernel that was used to collect data for an upcoming paper. We would like to have the code be open source so that the reviewers (and then readers) of the paper can see the whole code, and can reproduce/verify our results. This is not a fully featured application, it cannot produce any useful simulation results, it just executes a small abstracted kernel using synthetic data. The purpose of the kernel is to understand the basic performance characteristics of an HPC kernel on novel AI accelerator architectures. The main kernel is written in the CSL coding language for use with the Cerebras WSE-2 AI accelerator. The kernel represented is the Monte Carlo cross section lookup kernel, which is a small kernel used by the Monte Carlo neutral particle transport algorithm. There is also a baseline kernel written in CUDA that we will include in the repository to form a basis for comparing the WSE-2 to GPU.

Tramm, John↗

DOE OSTI2015

WE-AB-BRB-07: Alanine and Monte Carlo Determined Beam Quality Corrections for Nonstandard Fields of the Varian TrueBeam Accelerator

Purpose: To determine beam quality correction factors for flattened and unflattened beams of the Varian TrueBeam™ accelerator using alanine measurements and Monte Carlo calculations. Methods: Measurements were performed using L-α-alanine pellets encased in Virtual Water™ paddles. These were irradiated in liquid water using various field sizes of the 6MV and 10MV beam energies of the TrueBeam™, with both flattening-filter-free (FFF) and flattened beam modes. Measurements were also performed in a 10×10 cm{sup 2} {sup 60}Co field. Pellets were read out by the National Physical Laboratory (NPL, Teddington, UK) using electron paramagnetic resonance (EPR) spectrometry, and results were corrected for energy dependence using graphite calorimetry. Beam quality correction factors (k{sub Q}, k{sub Q}msr,Q, and k{sub Q}clin,Q{sub msr}) were determined for three ionization chambers: an Exradin A12 Farmer-type chamber, an Exradin A1SL scanning chamber, and an Exradin A26 microchamber. All chambers were modeled in the egs-chamber user code of EGSnrc. Sources were created using Varian-supplied IAEA-compliant phase spaces and the BEAMnrc user code, and were validated by comparing measured and simulated dose profiles. Results: Measured and calculated k{sub Q} values agreed within uncertainties, showing the chamber models to be reliable. A comparison of measured and calculated k{sub Q}msr,Q results with TG-51-based values showed that TG-51 adequately accounts for variations in beam quality between flattened and unflattened 10×10 cm{sup 2} fields. Small field corrections, k{sub Q}clin,Q{sub msr}, were determined to be up to 5%, referenced to a 10×10 cm{sup 2} field of the same energy and mode. Conclusion: Beam quality corrections were determined for several beam energies of the TrueBeam™ accelerator using Monte Carlo calculations and were validated using measurements with alanine. Values of k{sub Q} determined using TG-51 were found to be adequate for FFF reference fields. However, small field corrections are necessary for both flattened and unflattened beams to ensure greater treatment planning accuracy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Highly Extensible X-ray Diffraction Toolkit

This code has been previous released as open source under LLNL-CODE-529294. The HEXRD program comprises a library of X-ray diffraction analysis tools and a stand-alone GUI application. While there are many software packages that provide similar capabilities, HEXRD was designed to provide an extremely flexible and extensible basis for describing a broad array of X-ray diffraction instruments; this includes both mono- and poly-chromatic modalities as well as poly- and single-crystal samples. The high-level objects include Material: an abstraction for defining crystalline materials, including unit cell parameters and anisotropic elastic moduli Imageseries: an interface for series of diffraction images containing one or more frames, including provisions for metadata. Instrument: an abstraction of an X-ray diffraction instrument including support for the definition of multiple detector elements as well as powder, Laue, and mono-chromatic single/multi-grain diffraction analysis modalities (including attendant calibration routines). The hexrdgui package is a standalone PySide2/Qt5 GUI built on top of hexrd. The 0.8.1 release includes various bug fixes as well as some new functionality in the GUI, including: o Enhancements to the import tools for LLNL diffraction instruemtns (PXRDIP and TARDIS) o The ability to save 1-d LeBail fits of integrated diffraction spectra.

Barton, NathanR.↗

DOE OSTI2025

Using Calibrated Sodium Data for Preliminary Validation of the SRT Code for Advanced Reactors

Various types of non-light water reactors are currently engaged in the U.S. licensing process. Because of inherent differences compared with well-established large light water reactors, appropriate assessment tools are needed. Specifically, source term analysis, which determines environmental dose impacts from potential accident scenarios, is a crucial part of design and licensing. The U.S. Nuclear Regulatory Commission has emphasized the importance of mechanistic source term analysis for advanced reactor deployments. To align with these needs, Argonne National Laboratory has developed the Simplified Radionuclide Transport (SRT) source term analysis code for metal fuel Sodium-cooled Fast Reactors (SFRs) and microreactors. SRT conducts time-dependent radionuclide transport and retention in SFRs for core and ex-core radionuclide source accident sequences. The main objective of SRT is to provide rapid sensitivity and uncertainty analyses, incorporating parametric uncertainties and summarizing probabilistic results. As part of the code validation process, a study focused on the bubble scrubbing module was performed using an experiment recently carried out by the University of Wisconsin-Madison. Based on the analysis, the modeling approach in SRT provides accurate results for small and large aerosols, while slight underprediction of radionuclide aerosol removal are observed for medium sized aerosols. However, the deviation is minor, considering the highly uncertain phenomenon and range of results, and is in the conservative direction. In addition, uncertainty information derived from the experiments is further implemented, reflecting the actual span of parameters, which leads to enhanced agreement with code predictions. The results demonstrate that SRT provides reasonable predictions for the bubble scrubbing process in sodium pool.

Kam, Dong Hoon↗