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DOE OSTI2011

Newly Available Reactor Physics Benchmark data in the March 2011 Edition of the IRPhEP Handbook

The International Reactor Physics Experiment Evaluation Project (IRPhEP) was established to preserve integral reactor physics experimental data, including separate or special effects data for nuclear energy and technology applications. Numerous experiments that have been performed worldwide, represent a large investment of infrastructure, expertise, and cost, and are valuable resources of data for present and future research. These valuable assets provide the basis for recording, development, and validation of methods. If the data are compromised, it is unlikely that any of these measurements would be repeated in the future. The purpose of the IRPhEP is to provide an extensively peer-reviewed set of reactor physics-related integral data that can be used by reactor designers and safety analysts to validate the analytical tools used to design next-generation reactors and establish the safety basis for operation of these reactors. Contributors from around the world collaborate in the evaluation and review of selected benchmark experiments for inclusion in the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP Handbook). Several new evaluations have been prepared for inclusion in the March 2011 edition of the IRPhEP Handbook.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Interactive Visualization of Multi-Group Cross Sections on High-Fidelity Spatial Meshes

Core simulation tools utilizing Monte Carlo transport methods represent the 'Holy Grail' for nuclear reactor analysis. However, deterministic transport methods pose a number of advantages to Monte Carlo from a computational perspective, which seems likely to make these methods more viable in the near to intermediate term. Deterministic methods almost universally discretize the energy domain in a few to hundreds of energy groups. One of the key challenges for deterministic transport-based methods to be viable is accurate, reactor agnostic multi-group cross section generation. This paper describes tools for data processing and visualization of multigroup cross sections generated on high-fidelity spatial meshes from the OpenMC Monte Carlo code. Next generation deterministic transport reactor core modeling tools will require multi-group cross section (MGXS) generation on high-fidelity spatial meshes. High-fidelity MGXS are necessary for the accurate simulation of neutron physics in nuclear reactors with a high degree of spectral heterogeneity - e.g., large localized neutron flux gradients throughout a reactor core. Although many local (e.g., pin cell) approximations have been developed to model the scalar flux to compute spectral-averaged MGXS, these techniques cannot account for complex intra-pin and intra-assembly spatial self-shielding effects. Monte Carlo presents the most accurate method for reactor agnostic multi-group cross section generation since it does not require the use of local approximations to the flux. Monte Carlo has been proposed as a highly desirable framework for reactor agnostic cross section generation for many years. Monte Carlo methods can effectively embed all of the relevant spectral effects into the MGXS through the random particle tracking and interaction sampling processes. Previous work has applied MCNP and Serpent to compute few-group constants for diffusion calculations, and OpenMC to compute multi-group cross sections for transport-based methods. The primary difficulty with using Monte Carlo for MGXS generation is the tremendous computational resources required to adequately converge multi-group cross sections in each spatial region and energy group. Recent development of the OpenMC Monte Carlo code for high-performance computing platforms has made multigroup cross section generation from Monte Carlo more tractable in the foreseeable future. The recent release of OpenMC v0.7.1 includes a new Python-based module for MGXS generation. The MGXS generation module leverages many of the algorithms and features for 'big data' analysis of large tally datasets on complex spatial meshes. This paper describes the data management workflow and visualization tools which have been developed to explore the plethora of MGXS data generated with OpenMC. It is the authors' hope that the development of the visualization tool described in this paper will ultimately enable the design of machine learning algorithms to accelerate the convergence rate of high-fidelity multi-group cross section generated with Monte Carlo. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Brochure on the 2024 ASCR Workshop on Analog Computing for Science

Analog computing fundamentally differs from digital by representing data with fully continuous physical quantities, such as voltages, probabilities, chemical concentrations, or light intensities, rather than encoding values in discrete binary states. While digital computing has historically excelled in precision, scalability, and noise resistance, newer analog approaches are gaining interest for their potential to dramatically improve energy efficiency and processing speed. Analog systems can inherently solve mathematical problems through their physical behavior and offer distinct advantages in scenarios where continuous operations are more effective than Boolean logic.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

The most irrational rational theories

We propose a two-parameter family of modular invariant partition functions of two-dimensional conformal field theories (CFTs) holographically dual to pure threedimensional gravity in anti de Sitter space. Our two parameters control the central charge, and the representation of SL(2, $\mathbb{Z}$). At large central charge, the partition function has a gap to the first nontrivial primary state of $\frac{c}{24}$. As the SL(2, $\mathbb{Z}$) representation dimension gets large, the partition function exhibits some of the qualitative features of an irrational CFT. This, for instance, is captured in the behavior of the spectral form factor. As part of these analyses, we find similar behavior in the minimal model spectral form factor as c approaches 1.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

FITEVT: A FORTRAN program for arrival-time analysis of nuclear-decay events

FITEVT is a FORTRAN program designed to analyze recorded arrival times of nuclear-decay events affected by dead-time. Here, the primary goal of the program is precise and accurate determination of half-lives. Its method involves imposition of a known sufficiently long extending dead-time to the recorded event sequence, so that the original dead-time effects are completely obliterated and the remaining live-times of the survived events are known exactly. Upon completion of the analysis, the arrival-time spectrum and the live-time spectrum are predicted and compared to those constructed from the survived events.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

The high explosives & affected targets (HEAT) dataset

Artificial Intelligence (AI) surrogate models offer a computationally efficient alternative to full-physics simulations, yet no existing datasets are publicly available for training, testing, and validation of machine learning models of the dynamics of high-explosive driven shocks through multiple materials. Shock propagation through materials is a computationally challenging problem because simulations must include material-specific equations of state (EOS) along with descriptions of other physical processes such as plastic deformation, phase change, damage processes, fluid instabilities, and multi-material interactions. Shocks are typically initiated by high-velocity impacts or explosive loading. The latter case necessitates the addition of models of reactive materials to represent high-explosive (HE) detonation. Here, to address the lack of an expansive dataset for multi-material shock propagation in the AI/ML community, we present the High-Explosives and Affected Targets (HEAT) Dataset. HEAT is a physics-rich collection of two-dimensional, cylindrically symmetric, simulations generated using an Eulerian, multi-material, shock-propagation code developed at Los Alamos National Laboratory. The dataset includes two partitions: (1) the expanding shock-cylinder (CYL) simulations, Figs. 1, and (2) the Perturbed Layered Interface (PLI) simulations, Fig. 2. Entries in both partitions consist of time series of arrays of thermodynamic fields (pressure, density, and temperature), kinematic fields (position and velocity), and additional fields that depend on thermodynamic and/or kinematic fields (e.g., material stress). Materials in the CYL partition include solids (aluminium, copper, depleted uranium, stainless steel, tantalum, and a generic polymer), a liquid (water), gases (air, nitrogen), and a generic detonating material (high explosive, HE). The PLI partition spans a highly varying geometry but consists of fixed materials across entries: Copper, aluminium, stainless steel, generic polymer, and generic HE. HEAT captures critical phenomena such as momentum transfer, shock propagation, plastic deformation, and thermal effects, making HEAT a valuable benchmark for development of AI/ML emulation of multi-material shock propagation.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Pass-efficient methods for compression of high-dimensional turbulent flow data

The future of high-performance computing, specifically on future Exascale computers, will presumably see memory capacity and bandwidth fail to keep pace with data generated, for instance, from massively parallel partial differential equation (PDE) systems. Current strategies proposed to address this bottleneck entail the omission of large fractions of data, as well as the incorporation of in situ compression algorithms to avoid overuse of memory. To ensure that post-processing operations are successful, this must be done in a way that a sufficiently accurate representation of the solution is stored. Moreover, in situations where the input/output system becomes a bottleneck in analysis, visualization, etc., or the execution of the PDE solver is expensive, the number of passes made over the data must be minimized. In the interest of addressing this problem, this work focuses on the utility of pass-efficient, parallelizable, low-rank, matrix decomposition methods in compressing high-dimensional simulation data from turbulent flows. Additionally, a particular emphasis is placed on using coarse representation of the data – compatible with the PDE discretization grid – to accelerate the construction of the low-rank factorization. This includes the presentation of a novel single-pass matrix decomposition algorithm for computing the so-called interpolative decomposition. The methods are described extensively and numerical experiments on two turbulent channel flow data are performed. In the first (unladen) channel flow case, compression factors exceeding 400 are achieved while maintaining accuracy with respect to first- and second-order flow statistics. In the particle-laden case, compression factors of 100 are achieved and the compressed data is used to recover particle velocities. These results show that these compression methods can enable efficient computation of various quantities of interest in both the carrier and disperse phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

The classical equations of motion of quantized gauge theories, Part 2: Electromagnetism

In this and companion papers, we show that quantum field theories with gauge symmetries permit a broader class of classical dynamics than typically assumed. In this article, we show that the quantization of electromagnetism permits the existence of classical electric field states that do not obey Gauss’s law. These states are gauge invariant and their time evolution can be consistently described using the Schrödinger equation. The time evolution of these states is such that at the classical level, the full set of Maxwell’s equations would appear to hold, with the physical effects of these states being attributable to an auxiliary, static “shadow” charge density with no internal degrees of freedom. This density could affect the dynamics of charged particles in our universe and it may thus be of observational interest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Exact ground states of a staggered supersymmetric model for lattice fermions

We study a supersymmetric model for strongly interacting lattice fermions in the presence of a staggering parameter. The staggering is introduced as a tunable parameter in the manifestly supersymmetric Hamiltonian. We obtain analytic expressions for the ground states in the limit of small and large staggering for the model on the class of doubly decorated lattices. On this type of lattice there are two ground states, each with a different density. In one limit we find these ground states to be a simple Wigner crystal and a valence bond solid state. In the other limit we find two types of quantum liquids. As a special case, we investigate the quantum liquid state on the one dimensional chain in detail. It is characterized by a massless kink that separates two types of order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

SU(2) lattice gluon propagators at finite temperatures in the deep infrared region and Gribov copy effects

We study numerically the SU(2) Landau gauge transverse and longitudinal gluon propagators at nonzero temperatures T both in confinement and deconfinement phases. Special attention is paid to the Gribov copy effects in the IR region. Applying a powerful gauge fixing algorithm, we find that the Gribov copy effects for the transverse propagator D{sub T}(p) are very strong in the infrared, while the longitudinal propagator D{sub L}(p) shows very weak (if any) Gribov copy dependence. The value D{sub T}(0) tends to decrease with growing lattice size; however, D{sub T}(0) is nonzero in the infinite volume limit, in disagreement with the suggestion made in [I. Zahed and D. Zwanziger, Phys. Rev. D 61, 037501 (2000).]. We show that in the infrared region, D{sub T}(p) is not consistent with the pole-type formula not only in the deconfinement phase but also for T<T{sub c}. We introduce a new definition of the magnetic infrared mass scale ('magnetic screening mass') m{sub M}. The electric mass m{sub E} has been determined from the momentum space longitudinal gluon propagator. We study also the (finite) volume and temperature dependence of the propagators as well as discretization errors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Analyzing large data sets from XGC1 magnetic fusion simulations using apache spark

Apache Spark is explored as a tool for analyzing large data sets from the magnetic fusion simulation code XGCI. Implementation details of Apache Spark on the NERSC Edison supercomputer are discussed, including binary file reading, and parameter setup. Here, an unsupervised machine learning algorithm, k-means clustering, is applied to XGCI particle distribution function data, showing that highly turbulent spatial regions do not have common coherent structures, but rather broad, ring-like structures in velocity space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

High-order solution methods for grey discrete ordinates thermal radiative transfer

This work presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation is accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2010

w-cosmological singularities

In this paper we characterize barotropic index singularities of homogeneous isotropic cosmological models [M. P. Dabrowski and T. Denkiewicz, Phys. Rev. D 79, 063521 (2009).]. They are shown to appear in cosmologies for which the scale factor is analytical with a Taylor series in which the linear and quadratic terms are absent. Though the barotropic index of the perfect fluid is singular, the singularities are weak, as it happens for other models for which the density and the pressure are regular.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2010

Effects of Anisotropic Thermal Conductivity in Magnetohydrodynamics Simulations of a Reversed-Field Pinch

A compressible magnetohydrodynamics simulation of the reversed-field pinch is performed including anisotropic thermal conductivity. When the thermal conductivity is much larger in the direction parallel to the magnetic field than in the perpendicular direction, magnetic field lines become isothermal. As a consequence, as long as magnetic surfaces exist, a temperature distribution is observed displaying a hotter confined region, while an almost uniform temperature is produced when the magnetic field lines become chaotic. To include this effect in the numerical simulation, we use a multiple-time-scale analysis, which allows us to reproduce the effect of a large parallel thermal conductivity. The resulting temperature distribution is related to the existence of closed magnetic surfaces, as observed in experiments. The magnetic field is also affected by the presence of an anisotropic thermal conductivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Testing the Standard Model and Fundamental Symmetries in Nuclear Physics with Lattice QCD and Effective Field Theory

The research supported by this grant is aimed at probing the limits of the Standard Model through precision low-energy nuclear physics. The work of the PI (AWL) and additional personnel is to provide theory input needed for a number of potentially high-impact experiments, notably, hadronic parity violation, Dark Matter direct detection and searches for permanent electric dipole moments (EDMs) in nucleons and nuclei. In all these examples, a quantitative understanding of low-energy nuclear physics from the fundamental theory of strong interactions, Quantum Chromo-Dynamics (QCD), is necessary to interpret the experimental results. The main theoretical tools used and developed in this work are the numerical solution to QCD known as lattice QCD (LQCD) and Effective Field Theory (EFT). This grant is supporting a new research program for the PI, and as such, needed to be developed from the ground up. Therefore, the first fiscal year of this grant, 08/01/2014-07/31/2015, has been spent predominantly establishing this new research effort. Very good progress has been made, although, at this time, there are not many publications to show for the effort. After one year, the PI accepted a job at Lawrence Berkeley National Laboratory, so this final report covers just a single year of five years of the grant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Mathematical Modeling and Analysis of a Wide Bandwidth Bipolar Power Supply for the Fast Correctors in the APS Upgrade

This paper presents the mathematical modeling and analysis of a wide bandwidth bipolar power supply for the fast correctors in the APS Upgrade. A wide bandwidth current regulator with a combined PI and phase-lead compensator has been newly proposed, analyzed, and simulated through both a mathematical model and a physical electronic circuit model using MATLAB and PLECS. The proposed regulator achieves a bandwidth with a -1.23dB attenuation and a 32.40° phase-delay at 10 kHz for a small signal less than 1% of the DC scale. The mathematical modeling and design, simulation results of a fast corrector power supply control system are presented in this paper.

APS upgrade↗

DOE OSTI2014

Certification and the potential energy landscape

Typically, there is no guarantee that a numerical approximation obtained using standard nonlinear equation solvers is indeed an actual solution, meaning that it lies in the quadratic convergence basin. Instead, it may lie only in the linear convergence basin, or even in a chaotic region, and hence not converge to the corresponding stationary point when further optimization is attempted. In some cases, these non-solutions could be misleading. Proving that a numerical approximation will quadratically converge to a stationary point is termed certification. In this report, we provide details of how Smale's α-theory can be used to certify numerically obtained stationary points of a potential energy landscape, providing a mathematical proof that the numerical approximation does indeed correspond to an actual stationary point, independent of the precision employed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Boosted Kaluza–Klein magnetic monopole

We consider a Kaluza–Klein vacuum solution which is closely related to the Gross–Perry–Sorkin (GPS) magnetic monopole. The solution can be obtained from the Euclidean Taub–NUT solution with an extra compact fifth spatial dimension within the formalism of Kaluza–Klein reduction. We study its physical properties as appearing in (3+1) spacetime dimensions, which turns out to be a static magnetic monopole. We then boost the GPS magnetic monopole along the extra dimension, and perform the Kaluza–Klein reduction. The resulting four-dimensional spacetime is a rotating stationary system, with both electric and magnetic fields. In fact, after the boost the magnetic monopole turns into a string connected to a dyon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗