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At least 19 records

Radiation Source Localization Using Surrogate Models Constructed from 3-D Monte Carlo Transport Physics Simulations

Recent research has focused on the development of surrogate models for radiation source localization in a simulated urban domain. We employ the Monte Carlo N-Particle (MCNP) code to provide high- delity simulations of radiation transport within an urban domain. The model is constructed to employ a source location (x, y, z) as input and return the estimated count rate for a set of speci ed detector locations. Because MCNP simulations are computationally expensive, we develop e cient and accurate surrogate models of the detector responses. We construct surrogate models using Gaussian processes (GP) and neural networks (NN) that we train and verify using the MCNP simulations. The trained surrogate models provide an e cient framework for Bayesian inference and experimental design. We employ Delayed Rejection Adaptive Metropolis (DRAM), a Markov Chain Monte Carlo (MCMC) algorithm, to infer the location and intensity of an unknown source. The DRAM results yield a posterior probability distribution for the source's location conditioned on the observed detector count rates. The posterior distribution exhibits regions of high and low probability within the simulated environment identifying potential source locations. In this manner, we can quantify the source location to within at least one of these regions of high probability in the considered cases. Employing these methods, we are able to reduce the space of potential source locations by at least 60%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of nested geometry treatments within GPU-based Monte Carlo neutron transport simulations of fission reactors

Monte Carlo (MC) neutron transport provides detailed estimates of radiological quantities within fission reactors. This involves tracking individual neutrons through a computational geometry. CPU-based MC codes use multiple polymorphic tracker types with different tracking algorithms to exploit the repeated configurations of reactors, but virtual function calls have high overhead on the GPU. The Shift MC code was modified to support GPU-based tracking with three strategies: dynamic polymorphism with virtual functions, static polymorphism, and a single tracker type with tree-based acceleration. On the Frontier supercomputer these methods achieve 77.8%, 91.2%, and 83.4%, respectively, of the tracking rate obtained using a specialized tracker optimized for rectilinear-grid-based reactors. This indicates that all three methods are suitable for typical reactor problems in which tracking does not dominate runtime. The flexibility of the single tracker method is highlighted with a hexagonal-grid microreactor problem, performed without hexagonal-grid-specific tracking routines, providing a 2.19× speedup over CPU execution.

97 MATHEMATICS AND COMPUTING↗

The Impulse Approximation Scattering Function and Its Use in Monte Carlo Photon Transport Simulations

The viability of using the impulse approximation scattering function in Monte Carlo photon transport simulations is explored. This scattering function can be constructed from the double differential incoherent scattering cross section developed by Ribberfors and Berggren. A commonly used method for modeling photon Doppler broadening, which is referred to as the hybrid Doppler broadening method, can also be derived from this cross section. A new photon Doppler broadening method, called the consistent Doppler broadening method, is derived and discussed. This method eliminates some of the commonly employed approximations in the hybrid Doppler broadening method, in part, by using the impulse approximation scattering function. Integrated incoherent cross sections generated using the impulse approximation scattering function and the widely used Waller-Hartree scattering function are in good agreement above 20 keV. Below 20 keV, differences as high as 70% are observed, which differs from the roughly 5% differences observed by Ribberfors for some of the materials. Integral and spectral quantities for two problems are also generated using the Monte Carlo photon transport capabilities of the Framework for REsearch in Nuclear ScIence and Engineering (FRENSIE). Due to the small, relative result differences observed when using the impulse approximation scattering function, it is considered a viable alternative to the Waller-Hartree scattering function. In addition, some small, but expected, differences in spectral fluxes at low energies can be avoided by adopting the consistent Doppler broadening method.

42 ENGINEERING↗

Scalable algorithms for domain decomposition of Monte Carlo neutral particle transport simulations on unstructured mesh

Monte Carlo simulations are the gold standard in particle transport simulations, for shielding and nuclear reactor simulations Full core simulations can require terabytes of memory for tracking pin-resolved (up to 50k pins), nuclide (200 tracked), axial (20-200 zones) reaction rates Domain decomposition, splitting the calculation and the memory storage, among several nodes is challenging as it involves communication of particles across domain boundaries We created a new MOOSE application, MaCaw, to study this problem Algorithms developed for ray tracing in MOOSE were adapted for simulating neutral particle transport Physics and tally routines in OpenMC, dynamically linked, are called from the application

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Applying Constrained Bayesian Optimization to the Design of Critical Experiments

Often when planning a criticality experiment, many design configurations are iteratively investigated with a Monte Carlo transport code. The goal is that the experiment will be optimal with respect to some variable, like the fraction of fissions occurring at a certain energy range, while simultaneously being critical. Unfortunately, the Monte Carlo transport simulations are expensive, which can ultimately limit the number of configurations that can be explored. In this work, we present how Gaussian processes (GPs) can be used as a reduced-order model in a constrained Bayesian optimization (CBO) algorithm to design a criticality experiment. The GPs replace the Monte Carlo transport simulations that explore the design space. The CBO algorithm efficiently identifies new points in the design space to run the Monte Carlo transport code while respecting the criticality constraint. It does so in a manner that both improves the accuracy of the GP and finds the approximate global optimum. We demonstrate the performance of CBO with the design of a Thermal Epithermal eXperiment (TEX) for the criticality safety validation of nuclear waste models of the Hanford Tank Farm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Computing material volume fractions on a superimposed mesh as applied to Monte Carlo particle transport simulations

Here, we present a newly implemented ray tracing algorithm in OpenMC for efficiently computing material volume fractions on superimposed meshes in complex geometries. By firing rays along each coordinate direction through the geometry, the approach accumulates track-length data in each mesh element, thereby determining the fractional composition of each material. Scaling studies on three different models—a random tetrahedra configuration, the Frascati Neutron Generator ITER dose rate benchmark, and a stellarator design—show excellent parallel performance, with nearly linear speedup on modern multi-threaded and distributed-memory systems. An analysis of the residual error relative to high-resolution reference solutions demonstrated that under optimal conditions it decreases as 1/R, where R is the number of rays fired, making it straightforward to achieve user-prescribed accuracy. This new functionality enables practical, mesh-based approaches for detailed nuclear analyses in production Monte Carlo workflows without resorting to expensive, fully conformal or unstructured meshing.

Monte Carlo↗

Unstructured mesh-based multi-physics reactor transient simulation with iMC code

In this study, we present a time-dependent Monte Carlo simulation result about a complex fuel-loaded light water reactor system with thermal-hydraulic feedback using the KAIST iMC code. The intra-pin temperature distribution is calculated based on Monte Carlo-tallied detailed power distribution and the finite element heat transfer method. The temperature effect of fuel, absorber, and coolant are adequately reflected into the dynamic response by the on-the-fly Doppler broadened cross-section correction. For the time-dependent Monte Carlo transport simulation, the predictor-corrector quasi-static Monte Carlo method is used for this study. We tested the coupled analysis framework with a 17-by-17 fuel assembly loaded with the centrally-shielded burnable absorber (CSBA) fuel element. The temperature feedback effect on the material cross-section and the moderator density incurred negative reactivity in response to the external positive reactivity insertion, showing the inherent stability of the reactor system. The pin-wise power and temperature change during the system transient are presented and discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Surrogate-driven design optimization with uncertainty constraints in Monte Carlo simulations

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying the design process. However, under high uncertainty, surrogate models trained on noisy data can produce inaccurate predictions, as their performance depends heavily on the quality of training data. This study investigates the impact of data uncertainty on two multi-objective design problems modelled using Monte Carlo transport simulations: a neutron moderator and an ion-to-neutron converter. For each, a grid search was performed using five different tally uncertainty levels to generate training data for neural network surrogate models. These models were then optimized using NSGA-III. The recovered Pareto-fronts were analyzed across uncertainty levels: in the moderator problem, normalized hypervolume dropped from 0.886 at 1.0% uncertainty to 0.748 at 10% uncertainty, while in the converter problem it remained near 0.50 for all cases. Average simulation times were also compared to evaluate the trade-off between accuracy and computational cost. Results show that the influence of simulation uncertainty is strongly problem-dependent. In the neutron moderator case, higher uncertainties led to exaggerated objective sensitivities and distorted Pareto-fronts, reducing normalized hypervolume. In contrast, the ion-to-neutron converter task was less affected—low-fidelity simulations produced results similar to those from high-fidelity data. These findings suggest that a fixed-fidelity approach is not optimal. Surrogate models can recover the Pareto-front under noisy conditions, and multi-fidelity studies help identify suitable uncertainty levels for each problem to balance efficiency and accuracy.

07 ISOTOPE AND RADIATION SOURCES↗

Upsampling Monte Carlo Reactor Simulation Tallies in Depleted Sodium-Cooled Fast Reactor Assemblies Using a Convolutional Neural Network

The computational demand of neutron Monte Carlo transport simulations can increase rapidly with the spatial and energy resolution of tallied physical quantities. Convolutional neural networks have been used to increase the resolution of Monte Carlo simulations of light water reactor assemblies while preserving accuracy with negligible additional computational cost. Here, we show that a convolutional neural network can also be used to upsample tally results from Monte Carlo simulations of sodium-cooled fast reactor assemblies, thereby extending the applicability beyond thermal systems. The convolutional neural network model is trained using neutron flux tallies from 300 procedurally generated nuclear reactor assemblies simulated using OpenMC. Validation and test datasets included 16 simulations of procedurally generated assemblies, and a realistic simulation of a European sodium-cooled fast reactor assembly was included in the test dataset. We show the residuals between the high-resolution flux tallies predicted by the neural network and high-resolution Monte Carlo tallies on relative and absolute bases. The network can upsample tallies from simulations of fast reactor assemblies with diverse and heterogeneous materials and geometries by a factor of two in each spatial and energy dimension. The network’s predictions are within the statistical uncertainty of the Monte Carlo tallies in almost all cases. This includes test assemblies for which burnup values and geometric parameters were well outside the ranges of those in assemblies used to train the network.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Validation of realistic Monte Carlo plasma gamma-ray source on JET discharges

A novel modelling methodology has been developed for the creation of a realistic plasma gamma-ray source for Monte Carlo transport simulations in the tokamak JET. The methodology couples the TRANSP code for plasma transport calculations with the MCNP Monte Carlo particle transport code, thus connecting plasma physics with gamma-ray transport. Here, we present the validation of the developed source methodology by comparing calculated gamma-ray spectra with measurements performed at JET. The validation focuses on gamma-ray spectra measured by the tangential gamma-ray spectrometer during two JET three ion RF scenario discharges, performed in the JET 2019 deuterium experimental campaign. For validation the calculated plasma gamma-ray spectrum was combined with the neutron induced prompt gamma-ray background, originating in the vacuum vessel, and scaled to absolute values calculating the total number of plasma gamma-ray and neutron emitting reactions. The comparison between calculated and measured gamma-ray spectra shows good agreement with the shape of the calculated gamma-ray spectra matching that of measurements for both studied discharges. Moreover, the calculated absolute values of the gamma-ray spectra were of the same order of magnitude at the position of the gamma-ray detector located at the end of a long line-of-sight in a biological shield. Finally, the comparison has validated the developed plasma gamma-ray source methodology for MCNP photon transport calculations at JET. The validation provides a basis for the developed plasma gamma-ray source to be used as a support for the development of future tokamaks such as DEMO.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system

Abstract An extended version of the original kinetic lattice grand canonical Monte Carlo simulation method combined with mean field theory (KLGCMC/MF) ( J. Chem. Phys. 2007 , 127, 024706) is presented for the study of transport of multicomponent ion mixtures through a model nanopore. Comparison of the extended KLGCMC/MF (eKLGCMC/MF) simulation results with Poisson–Nernst–Planck (PNP) calculations is also made to confirm the validity of the extended simulation approach. Unlike the original version of KLGCMC/MF simulation method that treats only a binary ionic solution with one cation and one anion species, this extended version can deal with a system that includes ternary ion mixtures. A diffusion probability algorithm is also added to the extended version of the simulation method to describe the inhomogeneous diffusivity of ions that is often observed in the ion permeation through nanopores. Both Legendre and Chebyshev polynomials of the second kind were tested as a basis set for the basis set expansion (BSE) method with which to calculate the reaction field energy in the eKLGCMC/MF simulation. It turned out that the Legendre polynomials perform better than the Chebyshev polynomials, and as a result, the Legendre polynomials were implemented in the current version of eKLGCMC/MF simulation algorithm. The presented eKLGCMC/MF simulation method with new features finds its potential applications in nanopore systems where the correlation between ion species with the same sign of charges plays a key role such as oscillating ion currents or anomalous mole fraction effects.

Choi, Inhyeok↗

Geant4Reweight: a framework for evaluating and propagating hadronic interaction uncertainties in Geant4

Geant4Reweight is an open-source C++ framework that allows users to weight tracks produced by the Geant4 particle transport Monte Carlo simulation according to hadron interaction cross section variations and estimate uncertainties in Geant4 interaction models by comparing the simulation’s hadron interaction cross section predictions to data. The ability to weight hadron transport as simulated by Geant4 is crucial to the propagation of systematic uncertainties related to secondary hadronic interactions in current and upcoming neutrino oscillation experiments, including MicroBooNE, NOvA, and DUNE, aswell as hadron test beam experiments such as ProtoDUNE. Here, we provide motivation for weighting hadron tracks in Geant4 in the context of systematic uncertainty propagation, a description of Geant4’s transport simulation technique, and a description of our weighting technique and fitting framework in the momentum range 0–10 GeV/c, which is typical for the hadrons produced by neutrino interactions in these experiments.

97 MATHEMATICS AND COMPUTING↗

Ionization-Induced Subcycle Metallization of Nanoparticles in Few-Cycle Pulses

Strong-field laser-matter interactions in nanoscale targets offer unique avenues for the generation and detailed characterization of matter under extreme conditions. Field-driven, sub-cycle ionization-induced metallization of nanoscale solids in intense laser fields has been predicted (Peltz et al. Time-Resolved X-ray Imaging of Anisotropic Nano-plasma Expansion. Phys. Rev. Lett. 2014, 113, 133401), but its observation was hampered by a lack of a smoking gun. Here, we report the ultrafast metallization of isolated dielectric and semiconducting nanoparticles under intense few-cycle laser pulses. The highest-energy electron emission is found to be a decisive proof that shows a characteristic cutoff modification to a metallic limit for intensities high enough to ignite carrier avalanching in the volume of the particles. Furthermore, semiclassical Mean-field Mie Monte-Carlo transport simulations reveal the underlying dynamics and explain the observed evolution by near-field driven electron backscattering from the metallizing target.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discrete ordinates analysis of the forced-flight variance reduction technique in Monte Carlo neutral particle transport simulations

This paper presents mathematical formulations and methods to predict the effect of forced-flight variance reduction on Monte Carlo tally variance and calculation time. This includes deducing biasing operators that are then used to construct a history-score probability density function (HSPDF), which represents all possible Monte Carlo random walks and gives the probability of a Monte Carlo history scoring in a tally from a particular phase-space position. The history-score moment equations (HSMEs), the statistical moments of the HSPDF, are then derived to calculate the statistical behavior of the Monte Carlo tally when forced-flight variance reduction is applied. In addition, the future-time equation (FTE) is derived to predict the Monte Carlo computational time as a result of applying forced-flight variance reduction. The solutions of the HSMEs and FTE can be used to predict Monte Carlo computational cost. Furthermore, this work also describes a discrete ordinates method to solve the forced-flight HSMEs and FTE. Several 1-D and 2-D test problems verify that the derivations are performed and implemented correctly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

TRANSLATE - a Monte Carlo simulation of electron transport in liquid argon

Here, the microphysics of electron and photon propagation in liquid argon is a key component of detector design and calibrations needed to construct and perform measurements within a wide range of particle physics experiments. As experiments grow in scale and complexity, and as the precision of their intended measurements increases, the development of tools to investigate important microphysics effects impacting such detectors becomes necessary. In this paper we present a new time-domain Monte Carlo simulation of electron transport in liquid argon. The simulation models the TRANSport in Liquid Argon of near-Thermal Electrons (TRANSLATE) with the aim of providing a multi-purpose software package for the study and optimization of detector environments, with a particular focus on ongoing and next generation liquid argon neutrino experiments utilizing the time projection chamber technology. TRANSLATE builds on previous work of Wojcik and Tachiya, amongst others, introducing additional processes, including ionization, thus modeling the full range of drift electron scattering interactions. The simulation is validated by benchmarking its performance with swarm parameters from data collected in experimental setups operating in gas and liquid.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗