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At least 1,297 records · Page 72

Parallel beamlet dose calculation via beamlet contexts in a distributed multi‐GPU framework

Purpose Dose calculation is one of the most computationally intensive, yet essential tasks in the treatment planning process. With the recent interest in automatic beam orientation and arc trajectory optimization techniques, there is a great need for more efficient model‐based dose calculation algorithms that can accommodate hundreds to thousands of beam candidates at once. Foundational work has shown the translation of dose calculation algorithms to graphical processing units ( GPU s), lending to remarkable gains in processing efficiency. But these methods provide parallelization of dose for only a single beamlet, serializing the calculation of multiple beamlets and under‐utilizing the potential of modern GPU s. In this paper, the authors propose a framework enabling parallel computation of many beamlet doses using a novel beamlet context transformation and further embed this approach in a scalable network of multi‐ GPU computational nodes. Methods The proposed context‐based transformation separates beamlet‐local density and TERMA into distinct beamlet contexts that independently provide sufficient data for beamlet dose calculation. Beamlet contexts are arranged in a composite context array with dosimetric isolation, and the context array is subjected to a GPU collapsed‐cone convolution superposition procedure, producing the set of beamlet‐specific dose distributions in a single pass. Dose from each context is converted to a sparse representation for efficient storage and retrieval during treatment plan optimization. The context radius is a new parameter permitting flexibility between the speed and fidelity of the dose calculation process. A distributed manager‐worker architecture is constructed around the context‐based GPU dose calculation approach supporting an arbitrary number of worker nodes and resident GPU s. Phantom experiments were executed to verify the accuracy of the context‐based approach compared to Monte Carlo and a reference CPU ‐ CCCS implementation for single beamlets and broad beams composed by addition of beamlets. Dose for representative 4 π beam sets was calculated in lung and prostate cases to compare its efficiency with that of an existing beamlet‐sequential GPU ‐ CCCS implementation. Code profiling was also performed to evaluate the scalability of the framework across many networked GPU s. Results The dosimetric accuracy of the context‐based method displays <1.35% and 2.35% average error from the existing serialized CPU ‐ CCCS algorithm and Monte Carlo simulation for beamlet‐specific PDD s in water and slab phantoms, respectively. The context‐based method demonstrates substantial speedup of up to two orders of magnitude over the beamlet‐sequential GPU ‐ CCCS method in the tested configurations. The context‐based framework demonstrates near linear scaling in the number of distributed compute nodes and GPU s employed, indicating that it is flexible enough to meet the performance requirements of most users by simply increasing the hardware utilization. Conclusions The context‐based approach demonstrates a new expectation of performance for beamlet‐based dose calculation methods. This approach has been successful in accelerating the dose calculation process for very large‐scale treatment planning problems ‐ such as automatic 4 π IMRT beam orientation and VMAT arc trajectory selection, with hundreds of thousands of beamlets ‐ in clinically feasible timeframes. The flexibility of this framework makes it as a strong candidate for use in a variety of other very large‐scale treatment planning tasks and clinical workflows.

Neph, Ryan↗

Particlization in fluid dynamical simulations of heavy-ion collisions: The IS3D module

The IS3D particlization module simulates the emission of hadrons from heavy-ion collisions via Monte-Carlo sampling of the Cooper–Frye formula which converts fluid dynamical information into local phase-space distributions for hadrons. The code package includes multiple choices for the non-equilibrium correction to these distribution functions: the 14-moment approximation, first-order Chapman–Enskog expansion, and two types of modified equilibrium distributions. This makes it possible to explore to what extent heavy-ion experimental data are sensitive to different choices for δf n , presently the main source of theoretical uncertainty in the particlization stage. Here, we validate our particle sampler with a high degree of precision by generating several million hadron emission events from a longitudinally boost-invariant hypersurface and comparing the event-averaged particle spectra and space–time distributions to the Cooper–Frye formula.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity analysis of VERA-CS and FRAPCON coupling in a multiphysics environment

A demonstration and description of the LOCA Toolkit for US light water reactors (LOTUS) is presented. Through LOTUS, the core simulator VERA-CS developed by CASL is coupled with the fuel performance code FRAPCON. The coupling is performed with consistent uncertainty propagation with all model inconsistencies being well-documented. Monte Carlo sampling is performed on a single 17 × 17 fuel assembly with a three cycle depletion case. Both uncertainty quantification (UQ) and sensitivity analysis (SA) are used at multiple states within the simulation to elucidate the behavior of minimum departure from nucleate boiling ratio (MDNBR), maximum fuel centerline temperature (MFCT), and gap conductance at peak power (GCPP). The SA metrics used are the Pearson correlation coefficient, Sobol sensitivity indices, and the density-based, delta moment independent measures. Results for MDNBR show consistency among all SA measures, as well for all states throughout the fuel lifecycle. MFCT results contain consistent rankings between SA measures, but show differences throughout the lifecycle. GCPP exhibits predominantly linear relations at low and high burnup, but highly nonlinear relations at intermediate burnup due to abrupt shifts between models. As a result, such behavior is largely undetectable to traditional regression or variance-based methods and demonstrates the utility of density-based methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A new 181 Ta neutron resolved resonance region evaluation

A new 181 Ta neutron resolved resonance region evaluation has been performed from the thermal energy range up to approximately 2.5 keV. The R-matrix SAMMY code was used with the Reich–Moore approximation to evaluate resonance parameters from several experimental data sets. A Monte Carlo approach was used for resonance spin assignments and generating 59 small fictitious resonance levels which were shown to improve the cumulative level, Porter-Thomas, and Wigner distributions as compared to theoretical predictions. Covariance information was also generated for the entire resolved resonance region. Finally, the positive impact of the new evaluation was validated through benchmark calculations which were sensitive to the 181 Ta cross section and showed improvement in the reactivity bias for several benchmark cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integrated Neutronics Modeling for Inertial Fusion Energy Systems: Development and Application to LD-FIRST

Lawrence Livermore National Laboratory (LLNL) is proposing a new Laser Driven Fusion Integration Research and Science Test Facility (LD-FIRST) with the goal of providing an experimental testbed for future Inertial Fusion Energy (IFE) systems. However, IFE systems require detailed and accurate multiphysics modeling to quantify material damage, thermal loading, and tritium breeding within complex chamber environments. This article presents the first step in an integrated multiphysics framework that couples meshed CAD-based geometry within Monte Carlo neutronic simulations to enable high-fidelity analysis of IFE chamber concepts, with future coupling to external codes. The neutronics workflow utilizes OpenMC and its third-party capability to use CAD-based geometries through DAGMC and tally on unstructured meshes with Libmesh to evaluate neutron transport behavior, geometric fidelity, and material performance under reactor-relevant conditions. The use of tailored tallies on unstructured meshes in this framework allows direct transfer without interpolating to CFD simulation tools. Two IFE chambers were evaluated, both conceived by LLNL: HYLIFE-II and Laser IFE (LIFE). This work produced high-fidelity conformal surface and volumetric meshes of the HYLIFE-II and LIFE chambers with mapped spatial insight into material damage, thermal loading, and tritium breeding. The HYLIFE-II model was built utilizing available resources and used as a test case to verify that the neutronics framework can handle complex geometries. The LIFE chamber CAD was provided by LLNL and was the main focus of this work. This work analyzes multiple ternary alloy breeding materials for the LIFE chamber, across different 6 Li enrichments to produce data relevant to the LD-FIRST project. This work also investigates the level of model fidelity for the LIFE chamber, and results show that inclusion of detailed first wall and coolant structures increased the predicted tritium breeding ratio (TBR) by ~30%, highlighting the sensitivity of tritium breeding and the need for a high-fidelity simulation framework for IFE chambers. These developments provide a scalable toolset for the design and optimization of next-generation IFE chambers, forming a solid foundation for future coupled multiphysics analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Surrogate modeling of Cellular-Potts agent-based models as a segmentation task using the U-Net neural network architecture

The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the explicit modeling of interactions among large numbers of individual model agents and diffusive fields described by partial differential equations (PDEs). In this work, we develop a convolutional neural network (CNN) surrogate model using a U-Net architecture that accounts for periodic boundary conditions. We use this model to accelerate the evaluation of a mechanistic CPM previously used to investigate in vitro vasculogenesis. The surrogate model was trained to predict 100 computational steps ahead (Monte-Carlo steps, MCS), accelerating simulation evaluations by a factor of 562 times compared to single-core CPM code execution on CPU. Over short timescales of up to 3 recursive evaluations, or 300 MCS, our model captures the emergent behaviors demonstrated by the original Cellular-Potts model such as vessel sprouting, extension and anastomosis, and contraction of vascular lacunae. This approach demonstrates the potential for deep learning to serve as a step toward efficient surrogate models for CPM simulations, enabling faster evaluation of computationally expensive CPM simulations of biological processes.

97 MATHEMATICS AND COMPUTING↗

RAVEN User Guide

The goal of this document is to provide a set of detailed examples that can help the user to become familiar with the RAVEN code. RAVEN is capable of investigating system response and explore input space using various sampling schemes such as Monte Carlo, grid, or Latin Hypercube. How- ever, RAVEN strength lies in its system feature discovery capabilities such as: constructing limit surfaces, separating regions of the input space leading to system failure, and using dynamic super- vised learning techniques. New users should consult the RAVEN Tutorial to get started.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

High-resolution imaging gamma-ray spectroscopy with externally segmented germanium detectors

Externally segmented germanium detectors promise a breakthrough in gamma-ray imaging capabilities while retaining the superb energy resolution of germanium spectrometers. An angular resolution of 0.2 deg becomes practical by combining position-sensitive germanium detectors having a segment thickness of a few millimeters with a one-dimensional coded aperture located about a meter from the detectors. Correspondingly higher angular resolutions are possible with larger separations between the detectors and the coded aperture. Two-dimensional images can be obtained by rotating the instrument. Although the basic concept is similar to optical or X-ray coded-aperture imaging techniques, several complicating effects arise because of the penetrating nature of gamma rays. The complications include partial transmission through the coded aperture elements, Compton scattering in the germanium detectors, and high background count rates. Extensive electron-photon Monte Carlo modeling of a realistic detector/coded-aperture/collimator system has been performed. Results show that these complicating effects can be characterized and accounted for with no significant loss in instrument sensitivity.

Callas, J. L.↗

Kepler Uniform Modeling of KOIs: MCMC Notes for Data Release 25

This document describes data products related to the reported planetary parameters and uncertainties for the Kepler Objects of Interest (KOIs) based on a Markov-Chain-Monte-Carlo (MCMC) analysis. Reported parameters, uncertainties and data products can be found at the NASA Exoplanet Archive . The codes used for this data analysis are available on the Github website (Rowe 2016). The relevant paper for details of the calculations is Rowe et al. (2015). The main differences between the model fits discussed here and those in the DR24 catalogue are that the DR25 light curves were used in the analysis, our processing of the MAST light curves took into account different data flags, the number of chains calculated was doubled to 200 000, and the parameters which are reported are based on a damped least-squares fit, instead of the median value from the Markov chain or the chain with the lowest 2 as reported in the past.

DR25↗

Monte Carlo Tree Search for Integrated Planning, Learning, and Execution in Nondeterministic Python

We present a novel use of Monte Carlo Tree Search (MCTS),adapted to explore a search space produced by the choice points embedded in Python code. The choice points are non-deterministic assignment statements and subroutine calls. We present MCTS extensions required for doing tree search in this context which includes control constructs like hierarchical decomposition (subroutine calls), iterative while loops and conditional statements. We demonstrate how the system works in a simulated rideshare scenario in an urban setting, and present preliminary experiments as a proof of concept.

Automatic planning↗

Bayesian Treed Calibration: An Application to Carbon Capture With AX Sorbent

In cases where field or experimental measurements are not available, computer models can model real physical or engineering systems to reproduce their outcomes. They are usually calibrated in light of experimental data to create a better representation of the real system. Statistical methods, based on Gaussian processes, for calibration and prediction have been especially important when the computer models are expensive and experimental data limited. In this paper, we develop the Bayesian treed calibration (BTC) as an extension of standard Gaussian process calibration methods to deal with non-stationarity computer models and/or their discrepancy from the field (or experimental) data. Our proposed method partitions both the calibration and observable input space, based on a binary tree partitioning, into sub-regions where existing model calibration methods can be applied to connect a computer model with the real system. The estimation of the parameters in the proposed model is carried out using Markov chain Monte Carlo (MCMC) computational techniques. Different strategies have been applied to improve mixing. We illustrate our method in two artificial examples and a real application that concerns the capture of carbon dioxide with AX amine based sorbents. The source code and the examples analyzed in this paper are available as part of the supplementary materials.

Bayesian tree↗

Deep Direct-Use Feasibility Study Reservoir Productivity Uncertainty Analysis for the Tuscarora Sandstone, Morgantown, WV

This dataset contains figures that summarize the Tuscarora Sandstone core permeability data collected from the Preston 119 well in Preston County, WV, and summary results of a stochastic analysis that was used to estimate reservoir productivity for the currently unexplored Tuscarora Sandstone below Morgantown, West Virginia. Uncertainties in reservoir productivity considered the thickness of the reservoir, rock permeability, and fluid viscosity. A Monte Carlo analysis of these uncertain properties was used to predict reservoir flow productivity for the case of a matrix-dominated reservoir, and a fracture-dominated reservoir. These results are summarized in figures, spreadsheets, and maps.

15 GEOTHERMAL ENERGY↗

Advanced Multi-phase Flow CFD Model Development for Solid Rocket Motor Flowfield Analysis

A Navier-Stokes code, finite difference Navier-Stokes (FDNS), is used to analyze the complicated internal flowfield of the SRM (solid rocket motor) to explore the impacts due to the effects of chemical reaction, particle dynamics, and slag accumulation on the solid rocket motor (SRM). The particulate multi-phase flowfield with chemical reaction, particle evaporation, combustion, breakup, and agglomeration models are included in present study to obtain a better understanding of the SRM design. Finite rate chemistry model is applied to simulate the chemical reaction effects. Hermsen correlation model is used for the combustion simulation. The evaporation model introduced by Spalding is utilized to include the heat transfer from the particulate phase to the gase phase due to the evaporation of the particles. A correlation of the minimum particle size for breakup expressed in terms of the Al/Al2O3 surface tension and shear force was employed to simulate the breakup of particles. It is assumed that the breakup occurs when the Weber number exceeds 6. A simple L agglomeration model is used to investigate the particle agglomeration. However, due to the large computer memory requirements for the agglomeration model, only 2D cases are tested with the agglomeration model. The VOF (Volume of Fluid) method is employed to simulate the slag buildup in the aft-end cavity of the redesigned solid rocket motor (RSRM). Monte Carlo method is employed to calculate the turbulent dispersion effect of the particles. The flowfield analysis obtained using the FDNS code in the present research with finite rate chemical reaction, particle evaporation, combustion, breakup, agglomeration, and VOG models will provide a design guide for the potential improvement of the SRM including the use of materials and the shape of nozzle geometry such that a better performance of the SRM can be achieved. The simulation of the slag buildup in the aft-end cavity can assist the designer to improve the design of the RSRM geometry.

Liaw, Paul↗

Hot-electron generation at direct-drive ignition-relevant plasma conditions at the National Ignition Facility

Laser–plasma interaction instabilities can be detrimental for direct-drive inertial confinement fusion by generating high-energy electrons that preheat the target. Moreover, an experimental platform has been developed and fielded on the National Ignition Facility to investigate hot-electron production from laser–plasma instabilities at direct-drive ignition-relevant conditions. The radiation-hydrodynamic code DRACO has been used to design planar-target experiments that generate plasma and interaction conditions comparable to direct-drive ignition designs: I L ~10 15 W/cm 2 , T e > 3 keV, and density-gradient scale lengths of L n ~ 600 μ m in the quarter-critical density region. The hot-electron properties were inferred by comparing the experimentally observed hard x-ray spectra to Monte Carlo simulations of hard x-ray emission from hot electrons depositing energy in the target. Hot-electron temperatures of ~40 keV to 60 keV and the fraction of laser energy converted to hot electrons of ~0.5% to 5% were inferred in plastic targets for laser intensities at the quarter-critical density surface of (~4 to 14) × 10 14 W/cm 2 . The use of silicon ablators was found to mitigate the hot-electron preheat by increasing the threshold laser intensity for hot-electron generation from ~3.5 × 10 14 W/cm 2 in plastic to ~6 × 10 14 W/cm 2 in silicon. The overall hot-electron production is further reduced in silicon ablators when the intensity threshold is exceeded.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SCALE capabilities for high temperature gas-cooled reactor analysis

The SCALE code system’s ability to address stochastic distributions of fuel particles within a graphite matrix has been revisited in both multigroup (MG) features and continuous-energy (CE) Monte Carlo methods. Furthermore, this paper describes current and emergent SCALE capabilities within the CSAS sequence to address double-heterogeneous systems and presents verification and validation studies of these methods and data. Good agreement was obtained for a high temperature gas-cooled reactor (HTGR) fuel pebble model between CSAS MG eigenvalue calculations and corresponding CE reference solutions. Code-to-code comparisons for this HTGR pebble model showed good agreement of CSAS-KENO and CSAS-Shift CE calculations and the Serpent and MCNP codes in terms of eigenvalues and reaction rate ratios. Validation studies based on two HTGR experiments resulted in good agreement between MG and CE results, as well as between experiment and calculation, although the level of agreement was significantly influenced by the applied ENDF/B nuclear data library.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A linked-scale coupled model of mass erosion and redistribution in plasma-exposed micro-foam surfaces

Surface evolution due to exposure to harsh environments is of importance in many scientific and technological applications. In plasma-exposed materials, the surface receives charged particles from the plasma, leading to a series of processes that drive the system far from equilibrium and may lead to the severe deterioration of the surface properties. Although surface morphological changes are driven by atomic collisions taking place over picoseconds and nanometers, these processes result in mass loss and redistribution of matter over much larger length and time scales. This necessitates a multi-scale approach capable of capturing the range of processes linking primary atomic collision events with engineering-level surface geometry changes. In this paper, we develop a computational model to simulate the morphological evolution and effective erosion rate of micro-architected tungsten foams during low-energy plasma ion bombardment. Furthermore, the model acts on several length scales, with the energy and angular dependence of the sputtering yield of flat tungsten surfaces determined using the SRIM code based on the binary collision approximation. This information is introduced into a low-fluence, short-term Monte Carlo raytracing model, and further into a high-fluence, long-term particle transport model. In the latter, material particles representing billions of atoms are described in a digitized 3-D representation of the foam structure from X-ray tomography data, and are sputtered off and redeposited using the atomistic information. We show that the redeposition of sputtered atoms leads to partial self-healing in the bottom layers with a sharp reduction in the sputtering coefficient of low density foams, roughly 25% of the solid W value. This is in qualitative agreement with recent experiments on low porosity W structures. At high fluence, the foam structure degrades considerably as there are fewer ligaments available to recapture sputtered atoms and, consequently, the sputtering rate increases again.

36 MATERIALS SCIENCE↗

Dose Rate Evaluation for the ES-3100 Package with HEU Content Using MCNP, ADVANTG, Monaco, and MAVRIC

Here, this paper presents a comparative study of dose rate calculations for the ES-3100 package with highly enriched uranium (HEU) content for different source configurations using computer codes: (1) MCNP; (2) Automated Variance Reduction Generator (ADVANTG)/MCNP; (3) Monaco; and (4) Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC). The Model ES-3100 package was developed at the Y-12 National Security Complex for domestic and international transportation of Type B fissile radioactive material. In this study, six different source configurations (i.e., solid cylinder, cylindrical hemi-shell, cylindrical shell, rectangular plate, cylindrical rod, or cylindrical segment form) having 36 kg of HEU metal inside the package containment vessel (based on configurations in the ES-3100/HEU safety analysis report for packaging) are evaluated. Dose rates at the package surfaces and 1 m from the package surfaces are calculated for these different source configurations. MCNP and Monaco cases are run without any biasing options to accelerate the convergence. Consistent Adjoint Driven Importance Sampling (CADIS) and Forward-Weighted CADIS (FW-CADIS) methods developed at the Oak Ridge National Laboratory are implemented in ADVANTG/MCNP and MAVRIC codes to accelerate the convergence. ADVANTG generates variance reduction parameters using Denovo code, and MCNP is used with the variance reduction parameters to accelerate the convergence. MAVRIC uses Denovo code to construct an importance map and a biased source distribution that are supplied to Monaco to accelerate the Monte Carlo simulation. The FW-CADIS option in ADVANTG and MAVRIC is used to accelerate the convergence in this study. The accelerated convergence cases (ADVANTG/MCNP and MAVRIC) are about 100 times faster with 100 times less particle simulation than those cases run without biasing options (analog MCNP and analog Monaco). Lastly, the MCNP, ADVANTG/MCNP, Monaco, and MAVRIC calculated dose rates at the package surfaces and at 1 m from the package surfaces for the different source configurations are compared and are found to be in general agreement.

42 ENGINEERING↗