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At least 685 records · Page 38

On the Stochastic Stability of Deep Markov Models

Deep Markov models (DMM) are generative models which are scalable and expressive generalization of Markov models for representation, learning, and inference problems. DMMs using deep neural networks to parametrize the transition of Markov probability distributions have recently been shown to provide more expressiveness in modeling sequential data and dynamical system responses. However, the fundamental stochastic stability guarantees of such models have not been thoroughly investigated. In this paper, we present a rigorous analytical method to prove the necessary and sufficient conditions of DMM's stochastic stability. This task is achieved by spectral analysis of the efficiently computed Jacobians of probabilistic maps modeled by deep neural networks. We make theoretical connections between the eigenvalues of neural network's weights and the different activation function types used on the stability and overall dynamic behavior of DMMs with Gaussian distributions. We empirically substantiate our theoretical results on stochastic stability and eigenvalue spectra via several numerical experiments. Formal stability guarantees of DMMs can substantially improve their robustness and trustworthiness, necessary for reliable use in safety-critical real-world applications.

Drgona, Jan↗

Multigroup cross section generation capability in GRIFFIN

GRIFFIN is an advanced reactor multiphysics application built on the object-oriented simulation environment (MOOSE) and is jointly developed by Idaho National Laboratory and Argonne National Laboratory. The cross section application programming interface, originally developed for the PROTEUS code, has been integrated into GRIFFIN to prepare cross sections for thermal reactor applications with heterogeneous geometries. Additional improvements have been made by implementing an on-the-fly slowing down method, a double heterogeneity treatment capability, and updating the procedure to generate the fine multigroup library. The cross section preparation capability in GRIFFIN was verified for graphite-moderated TRISO fuel-based reactor benchmark problems: unit-cell problems of VHTR and EMPIRE micro reactor and HTTR assembly problems. Eigenvalues and multigroup cross sections of GRIFFIN agreed very well with those of the continuous-energy Monte Carlo code Serpent2 within 200 pcm in eigenvalue and 2% in cross sections. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

3D full core BEAVRS using OpenMOC with transport equivalence

Using an optimized implementation of the three-dimension method of characteristics for neutron transport, as well as a novel equivalence method for transport calculations de- signed to recover self-shielding errors from neglecting the angular dependence of reso- nant group absorption, a 3D full core light water reactor hybrid stochastic-deterministic eigenvalue calculation was achieved. This paper presents the optimizations developed and compares the transport solutions obtained. It realizes a runtime near 6,000 CPU hours for the statepoint, an improvement of an order of magnitude on previous works, with less than 1% error on pin fission/U-238 capture ratios and a few dozen pcms on the eigenvalue.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of a Representative Molten Chloride Fast Reactor Model to Assess the Impact of Nuclear Data

The SCALE code system was employed to conduct a preliminary investigation of nuclear data impacts for a fast spectrum molten chloride salt reactor. A computationally effective depletion model that is representative of the reactor system was successfully developed and used to conduct fuel depletion simulations. Development of this model draws from the SLICE method that was developed at Oak Ridge National Laboratory to enable generation of fuel compositions for an advanced reactor core at equilibrium operation. Eigenvalue uncertainty calculations using the ENDF/B-VII.1 nuclear data library were performed for the reactor in the fresh fuel state and an irradiated fuel state. It was determined that the primary driver of eigenvalue uncertainty was the uncertainty in the 235U (n, 𝛾) cross section. Uncertainty calculation results from this study were compared to results available for a different fast system, a sodium-cooled fast reactor, to confirm similarities and identify differences with respect to nuclear data impacts between the two fast advanced reactor systems.

Hirji, Rakim [Georgia Institute of Technology]↗

Relativistic levels of mesic atoms

We revisit the derivation of the covariant two-body scalar-fermion equation with a Coulomb interaction, presented in a previous paper. We show that it can be given the formal aspect of a Dirac equation, but for the fact that the eigenvalue is also contained in one of the coefficients and thus it is not linearly included. The discussion of the boundary value problem is therefore different, although some properties of the Dirac equation can be recovered in an approximation bringing back to the concept of reduced mass. We discuss a mixed analytic-numerical method of solution which allows to obtain very accurate results and we calculate the lowest levels, states and QED corrections for pionic and kaonic atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the missing magnetic flux and topological effects of a screw dislocation on a charged particle in an inhomogeneous magnetic field

Highlights: • Aharonov–Bohm-type effect associated with the missing magnetic flux. • Persistent currents associated with the missing magnetic flux. • Aharonov–Bohm-type effect associated with the screw dislocation topology. We study the interaction of an electron/hole with inhomogeneous magnetic field in the presence of a screw dislocation. We consider the internal structure of the defect, i.e., we consider the core that gives rise to a finite size to the defect. In addition, we assume that this core determines a forbidden region for the electron/hole. Then, we solve the Schrödinger equation and show that an Aharonov–Bohm-type effect arises from the influence of the topological defect and the missing magnetic flux on the eigenvalues of energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hybrid eigensolvers for nuclear configuration interaction calculations

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based subspace iterations and the residual minimization method accelerated by direct inversion of iterative subspace (RMM-DIIS) and describe how these algorithms compare with the standard Lanczos algorithm and the locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm. Although the RMM-DIIS method does not exhibit rapid convergence when the initial approximations to the desired eigenvectors are not sufficiently accurate, it can be effectively combined with either the block Lanczos or the LOBPCG method to yield a hybrid eigensolver that has several desirable properties. We will describe a few practical issues that need to be addressed to make the hybrid solver efficient and robust.

97 MATHEMATICS AND COMPUTING↗

Validation of Thermal Scattering Laws for Light Water at Elevated Temperatures with Diffusion Experiments

Light water is the most important neutron moderator in many reactor applications. Thermal neutron scattering kernels for H bound in H 2 O are represented by ENDF-format thermal scattering laws (TSLs) evaluated at discrete temperatures T . Nuclear data evaluations are conventionally validated utilizing a combination of critical benchmarks and experimental cross section data. Existing public critical benchmarks may be inadequate for testing water TSLs over the full range of T of interest in reactor applications, and experimental thermal scattering cross section data for water is sparse at elevated T . In this work, MC21 is used to simulate the decay of the equilibrium thermal neutron flux in light-water spheres of several radii. The fundamental-mode time eigenvalue $\mathcal{a}$ is calculated at 22 °C and 227 °C (at saturation pressure) for each sphere using three different H-H 2 O TSLs. Fitting $\mathcal{a}$ to a polynomial function of geometric buckling allows calculation of the thermal neutron diffusion length L . Extrapolation lengths are treated as a function of the transport mean free path and geometry. Experimental L data from 25 publications at 49 temperatures (from 10 °C to 295 °C), computed by several different time-dependent and space-dependent decay methods, is used to develop an empirical fit of L vs. T . The MC21-calculated L for the TSLs tested are within ±1% of the predicted values at 22 °C and 227 °C. This validation approach, which may be repeated at arbitrary T , constitutes an integral benchmark specific to and characterizing the detailed physics of the thermal scattering kernel applied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Refinement-by-Superposition -Method for (curl)- and (div)-Conforming Discretizations

Here, we present refinement-by-superposition (RBS) hp-refinement infrastructure for computational electromagnetics (CEMs), which permits exponential rates of convergence. In contrast to dominant approaches to hp-refinement for continuous Galerkin methods, which rely on explicit constraint equations, the multilevel strategy presented drastically reduces the implementation complexity. Through the RBS methodology, enforcement of continuity occurs by construction, enabling arbitrary levels of refinement with ease, and without the practical (but not theoretical) limitations of constrained-node refinement. We outline the construction of the RBS hp-method for refinement with H (curl)- and H (div)-conforming finite cells. Numerical simulations for the 2-D finite element method (FEM) solution of the Maxwell eigenvalue problem demonstrate the effectiveness of RBS hp-refinement. As an additional goal of this work, we aim to promote the use of mixed-order (low- and high-order) elements in practical CEM applications.

42 ENGINEERING↗

Planetary normal mode computation: Parallel algorithms, performance and reproducibility

This report is an extension of work entitled “Computing planetary interior normal modes with a highly parallel polynomial filtering eigensolver.” by Shi et al., [1] originally presented at the SC18 conference. A highly parallel polynomial filtered eigensolver was developed and exploited to calculate the planetary normal modes. The proposed method is ideally suited for computing interior eigenpairs for large-scale eigenvalue problems as it greatly enhances memory and computational efficiency. In this article, the second-order finite element method is used to further improve the accuracy as only the first-order finite element method was deployed in the previous work. The parallel algorithm, its parallel performance up to 20k processors, and the great computational accuracy are illustrated. The reproducibility of the previous work was successfully performed on the Student Cluster Competition at the SC19 conference by several participant teams using a completely different Mars-model dataset on different clusters. Both weak and strong scaling performances of the reproducibility by the participant teams were impressive and encouraging. The analysis and reflection of their results are demonstrated and future direction is discussed.

97 MATHEMATICS AND COMPUTING↗

Polynomial Preconditioned Arnoldi with Stability Control

Polynomial preconditioning can improve the convergence of the Arnoldi method for computing eigenvalues. Such preconditioning significantly reduces the cost of orthogonalization; for difficult problems, it can also reduce the number of matrix-vector products. Parallel computations can particularly benefit from the reduction of communication-intensive operations. Additoinally, the GMRES algorithm provides a simple and effective way of generating the preconditioning polynomial. For some problems high degree polynomials are especially effective, but they can lead to stability problems that must be mitigated. A two-level “double polynomial preconditioning” strategy provides an effective way to generate high-degree preconditioners.

97 MATHEMATICS AND COMPUTING↗

Performing k eff Validation of As-Loaded Criticality Safety Calculations Using UNF-ST&DARDS: Sensitivity Calculations

The general method for performing validation of as loaded criticality safety calculations using UNF ST&DARDS is presented in a paper by Clarity, which includes a description of the UNF-ST&DARDS system. Proof-of-principle analyses were performed in the summer of 2019 for MPC-32 dual purpose canisters (DPCs) containing pressurized water reactor (PWR) fuel assemblies. Summaries of these results are presented in this and a companion paper for this conference. The current paper describes the TSUNAMI-3D calculations performed to generate sensitivity data, and the companion paper discusses the selection of critical experiments applicable for validation of the 11 MPC-32 DPCs considered. The generation of sensitivity data for as-loaded spent nuclear fuel (SNF) DPCs is a challenge given the detailed model of the fuel compositions generated by UNF ST&DARDS. Each fuel assembly is modeled with its own irradiation history in 18 axial nodes, unless the fuel assembly is damaged and thus considered as fresh by design basis. This results in a set of 576 fuel compositions, each of which must be processed separately in a multigroup (MG) calculation. Therefore, a continuous-energy (CE) TSUNAMI-3D method was chosen to alleviate this challenge. Two CE TSUNAMI-3D methods are available in SCALE 6.2.3: the iterated fission probability (IFP) and contribution-linked eigenvalue sensitivity/uncertainty estimation via track-length importance characterization (CLUTCH). Since the IFP method is not feasible because of memory requirements associated with its implementation in SCALE, the CLUTCH method was selected for these calculations. CLUTCH has been implemented in SCALE in parallel, allowing long calculations to be performed in reasonable timeframes. The two primary user inputs necessary for CLUTCH calculations are the F*(r) mesh and the number of latent generations used in determining the F*(r) function. This F*(r) function is used as the importance function for fission chains originating in a given volume element (voxel), and it is calculated using the IFP method in the skipped generations. A large number of skipped generations is thus required to ensure accurate calculation of this importance function. In these calculations, 500 generations were used to calculate the F*(r) function. For more information regarding the calculation of F*(r), see Jones [4]. The remainder of this paper is focused on the selection of the F*(r) mesh and the number of latent generations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Experiments at Sandia to Measure the Effect of Temperature on Critical Systems

Estimation of the uncertainty in a critical experiment attributable to uncertainties in the measured experiment temperature is done by calculating the variation of the eigenvalue of a benchmark configuration as a function of temperature. In the low-enriched water-moderated critical experiments performed at Sandia, this is done by 1) estimating the effects of changing the water temperature while holding the UO 2 fuel temperature constant, 2) estimating the effects of changing the UO 2 temperature while holding the water temperature constant, and 3) combining the two results. This assumes that the two effects are separable. The results of such an analysis are nonintuitive and need experimental verification. Critical experiments are being planned at Sandia National Laboratories (Sandia) to measure the effect of temperature on critical systems and will serve to test the methods used in estimating the temperature effects in critical experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To compensate for the reduced number of qubits, one has to rely on special heuristic software such as qbsolv, the purpose of which is to decompose a large quadratic unconstrained binary optimization (QUBO) problem into smaller pieces that fit onto a quantum annealer. In this work, we compare the performance of the open-source qbsolv which is a part of the D-Wave Ocean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). The comparison is done for solving the electronic structure problem and is implemented in a classical mode (Tabu search techniques). The Quantum Annealer Eigensolver is used to map the electronic structure eigenvalue-eigenvector equation to a QUBO problem, solvable on a D-Wave annealer. We find that the Mukai QUBO solver outperforms the Ocean qbsolv with one to two orders of magnitude more accurate energies for all calculations done in the present work, both the ground and excited state calculations. This work stimulates the further development of software to assist in the utilization of modern quantum annealers.

97 MATHEMATICS AND COMPUTING↗

Experiments at Sandia to Measure the Effect of Temperature on Critical Systems [Slides]

Estimation of the uncertainty in a critical experiment attributable to uncertainties in the measured experiment temperature is done by calculating the variation of the eigenvalue of a benchmark configuration as a function of temperature. In the low-enriched water-moderated critical experiments performed at Sandia, this is done by 1) estimating the effects of changing the water temperature while holding the UO 2 fuel temperature constant, 2) estimating the effects of changing the UO 2 temperature while holding the water temperature constant, and 3) combining the two results. This assumes that the two effects are separable. The results of such an analysis are nonintuitive and need experimental verification. Critical experiments are being planned at Sandia National Laboratories (Sandia) to measure the effect of temperature on critical systems and will serve to test the methods used in estimating the temperature effects in critical experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validation of Recent Changes in Actinide Evaluations U-235, U-233, Pu-239 [Slides]

This presentation discusses U-235 updates, including fluctuations in the fission cross section in the URR range that were refined to represent measured data following the Paradela et al. evaluation. There were small changes to the low-energy resonances to improve the fit to measured capture data from RPI (capture reduced by 5% from 0.06-7.8 eV, by 7.7% from 7.8-11 eV) and there was a very small change to the thermal nu-bar within uncertainties. Discrete level data are stored in MF=6 (format requirement, no impact on calculations) and issues leading to negative eigenvalues in cross-covariances in the RR have been sorted out. In conclusion, many improvements were made to evaluated nuclear data of actinides in the resonance region and above, such as minor changes to U-235 including assessment of changes that depend on the finalization of the O-16 evaluation. U-233 improvements show significant progress in performance and some further improvement might be needed at intermediate energies. Pu-239 ORNL/IAEA evaluation is promising; however, more work is needed.

07 ISOTOPE AND RADIATION SOURCES↗

Covariance Testing at BNL [Slides]

This presentation discusses testing implemented in FUDGE & ADVANCE in regard to proper ENDF formatting: STAN, STANEF, CHECKR, FUDGE, NJOY, convert to BOXR format, plotting, endfcovreport.py which is an overview of ENDF library’s covariance contents, and covariance Matrix class implements that are the core of all GNDS covariance. Several checks are performed, including symmetric, real, positive definite, condition # of Eigenvalues, and too big uncertainties. The presentation states that it can fix too big and/or small uncertainties and that it can plot matrices. It states that further testing is recommended by CSEWG but has not yet been implemented and suggests methods such as documentation which needs a human to execute, completeness which is partially complete, and reasonableness which has not been started. The presentation concludes by elaborating on reasonableness and states that only cross section is documented, that similar limits on CP reactions cross sections are needed, that maximum limits are needed too which is tricky since ENDF assumes Normal PDFs, and that there may be other observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Recent Testing of ENDF/B-VIII.0 at ORNL [Slides]

This presentation provides an overview of comparisons of ENDF/B-VII.1 and ENDF/B-VIII.0 and uses VALID suite to test >600 cases with ENDF/B-VII.1 and ENDF/B-VIII.0 in KENO V.a/KENO-VI, although a limited number of cases have been tested with TSUNAMI. It provides a results summary of KENO V.a/KENO-VI with a pooled results summary. The presentation also discusses changes for LCT experiments, MCT experiments, MST experiments, and PST experiments. A few words about graphite are also provided and the presentation states that graphite performance investigated across ENDF/B-VII.0, ENDF/B-VII.1, and ENDF/B-VIII.0 for MSR and HTGR models. A brief summary of the results is presented to make sure the Validation Committee is aware of the work. Also presented is an Eigenvalue comparison with a graphite moderated system, and comparison between an HTR-10 pebble model ENDF/B-VII.1 vs. ENDF/B-VIII.0, which provides different graphite data. In conclusion, ORNL has recently completed a comparison of ENDF/B-VIII.0 and ENDF/B-VII.1 using the VALID library. Work is also being performed for advanced reactor applications. Other efforts on-going and they are also trying to investigate more intermediate spectrum cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗