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At least 199 records · Page 11

Comparison of statistical and deterministic frameworks of uncertainty quantification

Two different approaches to the prediction problem are compared employing a realistic example— combustion of natural gas—with 102 uncertain parameters and 76 quantities of interests. One approach, termed bound-to-bound data collaboration (abbreviated to B2B), deploys semidefinite programming algorithms where the initial bounds on unknowns are combined with initial bounds of experimental data to produce new uncertainty bounds for the unknowns that are consistent with the data and, finally, deterministic uncertainty bounds for prediction in new settings. The other approach is statistical and Bayesian, referred to as BCP (for Bayesian calibration and prediction). It places prior distributions on the unknown parameters and on the parameters of the measurement error distributions and produces posterior distributions for model parameters and posterior distributions for model predictions in new settings. The predictions from the two approaches are consistent; a very large degree of overlap exists between B2B bounds and the support of the BCP predictive distribution. Interpretation and comparison of the results is closely connected with assumptions made about the model and experimental data and how they are used in both settings. As a result, the principal conclusion is that use of both methods protects against possible violations of assumptions in the BCP approach and conservative specifications and predictions using B2B.

97 MATHEMATICS AND COMPUTING↗

static-subid: Deterministic subordinate UID/GID assignment for unprivileged containers

static-subid calculates predictable subordinate UID and GID ranges for Linux users based on their UID, ensuring consistent ID mappings across multiple systems. Unlike shadow-utils' sequential allocation (which depends on creation order), static-subid uses a deterministic formula that guarantees the same user UID always receives the same subordinate ID range. Subordinate IDs enable user namespaces for unprivileged container runtimes (Podman, Docker rootless mode, LXC) by mapping container UIDs/GIDs to host subordinate IDs without requiring root privileges.

Riehecky, Pat [Fermi National Accelerator Laborato↗

Development of a three-dimensional APOLLO3 neutrons deterministic scheme for the CABRI reactor

CABRI is an experimental reactor to study the fuel behavior during reactivity injection transients. These transients being highly multiphysics, the development of suitable modeling and simulation tools to simulate them is important for the optimization of the tests and the control of the experimental conditions. This paper focuses on the development of an APOLLO3 deterministic core calculation tool dedicated to the CABRI transient analysis. It represents the first stage of the incremental process for the implementation of a multiphysics time-dependent modeling of the CABRI transient. The neutron calculation scheme is based on a classical two-step approach. The first step consists of a 281-energy group calculation flux with the TDT-MOC (Method Of Characteristics) solver for cross-section space and energy (23 groups) collapsing for the CABRI different assembly clusters. The bias on a 2D core neutron calculation due to the self-shielding calculation and collapsing on a restricted pattern are investigated thanks to a comparison with a direct full 2D calculation on a quarter of core. The second step relies on a pin-resolved transport 3D transport core calculation with the SN solver MINARET. A progressive numerical validation process is followed to quantify the calculation biases on reactivity and reaction rates at each step using reference calculations with the stochastic code TRIPOLI4. The next development stage toward a multiphysics scheme will be the implementation of the 3D-kinetics equation resolution and the coupling with a core thermal-hydraulics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Validation of Deterministic Broadband Ground Motion and Variability from Dynamic Rupture Simulations of Buried Thrust Earthquakes

According to the article, we numerically model broadband ground motion (up to 5–7.5 Hz⁠) from blind‐thrust scenario earthquakes matching the fault geometry of the 1994 Mw 6.7 Northridge earthquake. Several realizations are modeled (by varying the hypocenter location in the dynamic rupture simulation) in a 1D‐layered velocity profile. In addition, we include Q(f )⁠, nonlinear effects from Drucker–Prager plasticity, and superimpose small‐scale medium complexity in both a 1D‐layered and 3D velocity model within the subsequent wave propagation. We investigate characteristics of the ground motion and its variability up to 50 km from the fault by comparing them with ground‐motion prediction equations (GMPEs), simple proxy metrics, as well as strong ground motion records from the Northridge event. We find that median ground motion closely follows the trend predicted by GMPEs and that the intraevent standard deviation, although varying with hypocenter location, lies near that of GMPE models. Plasticity affects ground‐motion amplitudes in regions near the source, reducing intraevent variability above ∼0.5 Hz⁠. Heterogeneity in the velocity structure on both the regional and small scales is needed for the simulated data to match two proxy metrics: the period‐to‐period correlation of spectral acceleration (SA) and the ratio of maximum‐to‐median SA. Although small‐scale heterogeneity has a negligible effect on median SA for this style of rupture, it serves to significantly increase the cumulative absolute velocity, better agreeing with observations. When compared with strong‐motion data, we find that long‐wavelength velocity structure within our deterministic simulations reduces bias at both short and long periods. Finally, synthetic ground motion at both footwall and hanging‐wall sites has no clear dependence on the distance to rupture (at both short and long periods); directivity is likely overpowering any hanging‐wall effect.

Geochemistry & Geophysics↗

Deterministic and Statistical Modeling of a New Thermal Breakout Technology for Measuring the Maximum Horizontal In-Situ Stress

The current state-of-the-art technology for in-situ stress measurements involves an integrated approach that combines borehole breakout observations, drilling-induced tensile fractures, and hydraulic fracturing tests (i.e., “mini-fracs”). This methodology has achieved wide application in the oil and gas industry but has several limitations that often prevent successful in-situ stress measurements. One major limitation is that breakouts do not appear in all boreholes and are generally only a natural occurrence that cannot easily be controlled. Because borehole breakouts are used to directly measure the maximum horizontal in-situ stress magnitude, the absence of borehole breakouts presents a major data gap for in-situ stress measurements. In response to this data gap, a new US Department of Energy (US DOE)-sponsored thermal breakout technology that will provide a method for thermally inducing borehole breakouts and allow the consistent measurement of the maximum horizontal stress magnitude is currently in development. This thermal breakout technology involves heating the borehole and increasing the thermoelastic compressive stress in the rock until a breakout develops, which can be directly correlated to the maximum horizontal stress magnitude. The first step in this project was an analytical modeling study of the thermal breakout process. Based on the Kirsch solution (Kirsch 1898), a deterministic and statistical analysis was performed on the pertinent parameters that influence the maximum horizontal stress calculation. As a result of the analysis, the findings indicate that the thermal breakout technology is feasible and provides improved accuracy and/or an enhanced ability to measure the maximum horizontal stress. Future work as part of this US DOE-sponsored project includes additional validation through more detailed numerical modeling, laboratory testing, and field testing of the thermal breakout technology.

58 GEOSCIENCES↗

Verification & Validation of High-Order Short-Characteristics-Based Deterministic Transport Methodology on Unstructured Grids

The research team has developed a practical, high-order, discrete-ordinates, short characteristics neutron transport code for three-dimensional configurations represented on unstructured tetrahedral grids that can be used for realistic reactor physics applications at both the assembly and core levels. This project will perform a comprehensive verification and validation of this new computational tool against both a continuous-energy Monte Carlo simulation (e.g. MCNP) and experimentally measured data, an essential prerequisite for its deployment in reactor core modeling. Verification is divided into three phases. The team will first conduct spatial mesh and expansion order refinement studies to monitor convergence of the numerical solution to reference solutions. This is quantified by convergence rates that are based on integral error norms computed from the cell-by-cell difference between the code’s numerical solution and its reference counterpart. The latter is either analytic or very fine- mesh numerical solutions from independent computational tools. For the second phase, the team will create a suite of code-independent benchmark configurations to enable testing the theoretical order of accuracy of any particular discretization of the discrete ordinates approximation of the transport equation. For each tested case (i.e. mesh and spatial approximation order), researchers will execute the code and compare the resulting numerical solution to the exact solution on a per cell basis to determine the distribution of the numerical error. The final activity comprises a comparison to continuous-energy Monte Carlo solutions for zero-power critical configuration measurements at Idaho National Laboratory’s Advanced Test Reactor (ATR). Results of this comparison will allow the investigators to distinguish between modeling errors and the above-listed discretization errors introduced by the deterministic method, and to separate the sources of uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Deterministic and Probabilistic Framework for Forecasting of Time-Series Damage States and Associated End-of-lIfe of a Pressurizer Water Reactor Surge Line under Design-Basis and Grid-Load-Following Loading Conditions

Argonne National Laboratory in support of the Department of Energy’s Light Water Reactor Sustainability (LWRS) program. The present semi-annual report covers the period between May 2018 and September 2018. In this report, we present the work performed to further improve the capability for structural integrity prediction. Part of this work focused on validating a computational fluid dynamics model for modeling thermal stratification. We also present finite element (FE) model based thermal-mechanical stress analysis of a pressurized water reactor (PWR) surge line under grid-load-following loading condition. In addition, we present work related to end-of-life prediction of a PWR surge line based on ASME code and NUREG-6909 deterministic approaches under design-basis and grid-load-following conditions. Our research in this report period also majorly involved with the development of a strategy for probabilistic fatigue life estimation. First, we applied a Weibull probabilistic modeling approach based on end-of-life fatigue data (traditional S~N data under in-air and PWR water conditions) to estimate the probabilistic life for a given strain amplitude. Second, we developed a data analytics based Markov-Chain-Monte-Carlo (MCMC) model for probabilistic modeling of time-series fatigue damage states and the associated probabilistic end-of-life of a component. Unlike the Weibull type approach, the MCMC type may not require a large number of fatigue tests for estimating the end-of-life for given loading and environmental conditions. We demonstrated the use of this framework through symmetric fatigue tests (stress- or strain-ontrolled tests either under in-air or PWR-water conditions) obtained from our earlier experiments. The MCMC model can use base time-series data either obtained from a model or fatigue experiment. Since experimental data are typically more accurate than model-calculated data, we used experiment-based time-series data to demonstrate the MCMC framework. However, when performing a complex experiment is not possible (due to time and costs involved), a model-based approach can be used to generate the time-series data. Similar model-based data are presented in our earlier report (e.g. for cyclic hardening damage states of a PWR surge line under constant amplitude and design-basis loading [1]). However, for the MCMC work in this report, we used experiment-based time-series damage states obtained from fatigue experiments under design-basis and grid-load-following loading conditions. The experimental loading inputs were based on thermal-mechanical FE model results of a typical PWR surge line. Then, we used the experimental time-series damage state data for forecasting the probabilistic time-series damage states and end-of-life of the PWR surge line. Based on this MCMC modeling strategy, and with the assumed loading, environment and thermal-mechanical boundary conditions, we have estimated that a 316SS-pure base metal PWR surge line would survive at least 159 years with zero failure probability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Deterministic Calculation of Gamma-Ray Transport Spectra with InterScatter.

Gamma-ray transport describes the way in which high-energy photons interact with matter. There are many well established, general purpose gamma transport calculation frameworks (such as GEANT4, MCNP, PARTISN, and GADRAS) that allow for complex generalized calculations, but they are typically not designed to be integrated into other multi-process, multi-platform applications, not designed for rapid computation, or their complexity leads to user errors. In this report, we introduce InterScatter: a deterministic simulation designed to quickly and easily calculate gamma-ray transport spectra for a 1D shielding geometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deterministic Calculation of Gamma-Ray Transport Spectra with InterScatter

Gamma-ray transport describes the way in which high-energy photons (gamma rays and x-rays) interact with matter. There are many well established, general purpose gamma transport calculation frameworks (such as GEANT4, MCNP, PARTISN, and GADRAS [1] [2] [3] [4]) that allow for complex generalized calculations, but they are typically not designed to be integrated into other multi-process, multi-platform applications, not designed for rapid computation, or their complexity leads to user errors. In this report, we introduce InterScatter: a deterministic simulation designed to quickly and easily calculate gamma-ray transport spectra for a 1D shielding geometry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Hybrid Method for Tensor Decompositions that Leverages Stochastic and Deterministic Optimization

In this paper, we propose a hybrid method that uses stochastic and deterministic search to compute the maximum likelihood estimator of a low-rank count tensor with Poisson loss via state-of-theart local methods. Our approach is inspired by Simulated Annealing for global optimization and allows for fine-grain parameter tuning as well as adaptive updates to algorithm parameters. We present numerical results that indicate our hybrid approach can compute better approximations to the maximum likelihood estimator with less computation than the state-of-the-art methods by themselves.

97 MATHEMATICS AND COMPUTING↗

Deterministic Transport: An Introduction [Slides]

In this lecture, we cover deterministic particle transport. We focus on neutral particles (neutrons, gamma-rays, thermal photons). Our goal is to predictively and accurately model how free particles interact with their environments and properties of systems involving those particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Deterministic and Monte Carlo Nuclear Data Adjustment Methods [Slides]

For the Bayesian Monte Carlo methodology, a need to understand convergence of the posterior moments as a function of the number of parameter realizations is required. In high-dimensional systems, it can be very costly to sample entire parameter space and perform functional evaluation for every realization. Bayesian Monte Carlo allows one to relax the GLLS approximations of model linearity and prior/posterior PDF shape. The Bayesian Stochastic Collocation Method is a deterministic approach to “sample” the parameter space. It allows one to relax the GLLS approximations of model linearity and posterior PDF shape. Higher-order posterior moments (i.e., skewness, kurtosis, etc.) can be studied through polynomial expansion. Tensor product quadrature scales poorly and can use sparse grid quadrature methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deterministic Transport: An Introduction [Slides]

In this lecture, we cover deterministic particle transport. We focus on neutral particles (neutrons, gamma-rays, and thermal photons). Our goal is to predictively and accurately model how free particles interact with their environments and properties of systems involving those particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deterministic Modeling of the High Temperature Test Reactor

Idaho National Laboratory (INL) is tasked with the development of reactor physics analysis capability of the Next Generation Nuclear Power (NGNP) project. In order to examine INL’s current prismatic reactor deterministic analysis tools, the project is conducting a benchmark exercise based on modeling the High Temperature Test Reactor (HTTR). This exercise entails the development of a model for the initial criticality, a 19 column thin annular core, and the fully loaded core critical condition with 30 columns. Special emphasis is devoted to the annular core modeling, which shares more characteristics with the NGNP base design. The DRAGON code is used in this study because it offers significant ease and versatility in modeling prismatic designs. Despite some geometric limitations, the code performs quite well compared to other lattice physics codes. DRAGON can generate transport solutions via collision probability (CP), method of characteristics (MOC), and discrete ordinates (Sn). A fine group cross section library based on the SHEM 281 energy structure is used in the DRAGON calculations. HEXPEDITE is the hexagonal z full core solver used in this study and is based on the Green’s Function solution of the transverse integrated equations. In addition, two Monte Carlo (MC) based codes, MCNP5 and PSG2/SERPENT, provide benchmarking capability for the DRAGON and the nodal diffusion solver codes. The results from this study show a consistent bias of 2–3% for the core multiplication factor. This systematic error has also been observed in other HTTR benchmark efforts and is well documented in the literature. The ENDF/B VII graphite and U235 cross sections appear to be the main source of the error. The isothermal temperature coefficients calculated with the fully loaded core configuration agree well with other benchmark participants but are 40% higher than the experimental values. This discrepancy with the measurement stems from the fact that during the experiments the control rods were adjusted to maintain criticality, whereas in the model, the rod positions were fixed. In addition, this work includes a brief study of a cross section generation approach that seeks to decouple the domain in order to account for neighbor effects. This spectral interpenetration is a dominant effect in annular HTR physics. This analysis methodology should be further explored in order to reduce the error that is systematically propagated in the traditional generation of cross sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Deterministic Multivariate Clustering Method for Drive Cycle Generation from In-Use Vehicle Data

Accurately characterizing vehicle drive cycles plays a fundamental role in assessing the performance of new vehicle technologies. Repeatable, short duration representative drive cycles facilitate more informed decision making, resulting in improved test procedures and more successful vehicle designs. With continued growth in the deployment of onboard telematics systems employing global positioning systems (GPS), large scale, low cost collection of real-world vehicle drive cycle data has become a reality. As a result of these technological advances, researchers, designers, and engineers are no longer constrained by lack of operating data when developing and optimizing technology, but rather by resources available for testing and simulation. Experimental testing is expensive and time consuming, therefore the need exists for a fast and accurate means of generating representative cycles from large volumes of real-world driving data. This paper explores the development and initial validation of a method of generating representative drive cycles from large collections of real-world vehicle data using a deterministic multivariate clustering approach. Starting with theory and diving into the methodology behind representative cycle generation, the paper aims to also present graphical and tabular results of initial validation via vehicle simulation and chassis dynamometer testing. Additional topics for further research and areas for ongoing development will also be presented.

47 OTHER INSTRUMENTATION↗

Tailoring coherent charge transport in graphene by deterministic defect generation

Harnessing the wave-nature of charge carriers in solid state devices, electron optics investigates and exploits coherent phenomena, in analogy with optics and photonics. Typically, this requires complex electronic devices leveraging macroscopically coherent charge transport in two-dimensional electron gases and superconductors. Here, collective coherent effects are induced in a simple counterintuitive architecture by defect engineering. Deterministically introduced lattice defects in graphene enable the phase coherent charge transport by playing the role of potential barriers, instead of scattering centres as conventionally considered. Thus, graphene preserves its quasi-ballistic quantum transport and can support phase-matched charge carrier waves. Based on this approach, multiple electronic Fabry-Pèrot cavities are formed by creating periodically alternating defective and pristine nano-stripes through low energy electron-beam irradiation. Indeed, defective stripes behave as partially reflecting mirrors and resonantly confine the charge carrier waves within the pristine areas, giving rise to Fabry-Pèrot resonant modes. These modes experimentally manifest as sheet resistance oscillations, as also confirmed by Landauer-Büttiker simulations. Moreover, these coherent phenomena survive up to 30 K for both polarities of charge carriers, contrarily to traditional monopolar electrostatically created Fabry-Pèrot interferometers. Our study positions defective graphene as an innovative platform for coherent electronic devices, with potential applications in nano and quantum technologies.

Melchioni, Nicola↗