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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Cross Section Generation Capability in Griffin

The Griffin code is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of steady-state solvers for fixed-source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code reads multigroup cross sections in the ISOXML format generated from external deterministic or Monte Carlo cross section generation codes. The implementation of the cross section generation capability in Griffin was initiated last year by plugging in the cross section application programming interface (CSAPI) and reviewing the methodologies for treating particulate fuels. The focus this year was on improving the CSAPI integration and implementing advanced self-shielding methods for applications to advanced reactor problems with TRISO fuels. First, the process for cross section library generation was updated to accurately and rigorously produce isotopic cross section data. Second, the on-the-fly slowing down method for the resonance treatment was implemented in CSAPI to improve the accuracy of effective multigroup cross sections in the resonance energy range. Among various on-the-fly slowing down methods, the equivalent Dancoff factor cell method was employed. Third, the iterative local spatial self-shielding method was implemented under the calculation framework of the equivalent Dancoff factor cell method to accurately deal with the double heterogeneity effect of particulate fuel. The updated CSAPI with the advanced self-shielding methods, together with the cross section libraries generated based on the improved process, were tested for the very high temperature reactor (VHTR), high temperature test reactor (HTTR), and Empire benchmark problems with various resonance self-shielding conditions, indicating that the updated CSAPI in Griffin is able to produce multigroup cross sections accurately and efficiently. We also show that the methodology works well for pebble bed fuel from HTR-10, but the capability still needs to be fully integrated into CSAPI. In the future, further benchmark tests will be performed for various thermal reactor core problems, including particulate fuel-based pebble bed reactors.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Exactly energy conserving semi-implicit particle in cell formulation

We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conserves energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These features are achieved at a reduced cost compared with either previous IMM or fully implicit implementation of PIC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Stochastic average model methods

We consider the solution of finite-sum minimization problems, such as those appearing in nonlinear least-squares or general empirical risk minimization problems. We are motivated by problems in which the summand functions are computationally expensive and evaluating all summands on every iteration of an optimization method may be undesirable. Here we present the idea of stochastic average model (SAM) methods, inspired by stochastic average gradient methods. SAM methods sample component functions on each iteration of a trust-region method according to a discrete probability distribution on component functions; the distribution is designed to minimize an upper bound on the variance of the resulting stochastic model. We present promising numerical results concerning an implemented variant extending the derivative-free model-based trust-region solver POUNDERS, which we name SAM-POUNDERS.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Theory of retrieving orientation-resolved molecular information using time-domain rotational coherence spectroscopy

We provide a unified theoretical framework for recently emerging experiments that retrieve fixed-in-space molecular information through time-domain rotational coherence spectroscopy. Unlike a previous approach by Makhija et al. (V. Makhija et al., arXiv:1611.06476), our method can be applied to the retrieval of both real-valued (e.g., ionization yield) and complex-valued (e.g., induced dipole moment) molecular response information. It is also a direct retrieval method without using iterations. We also demonstrate that experimental parameters, such as the fluence of the aligning laser pulse and the rotational temperature of the molecular ensemble, can be quite accurately determined using a statistical method.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Quantum cluster equilibrium model of N-methylformamide–water binary mixtures

The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Application and performance of an ML-EM algorithm in NEXT

The goal of the NEXT experiment is the observation of neutrinoless double beta decay in (136)Xe using a gaseous xenon TPC with electroluminescent amplification and specialized photodetector arrays for calorimetry and tracking. The NEXT Collaboration is exploring a number of reconstruction algorithms to exploit the full potential of the detector. This paper describes one of them: the Maximum Likelihood Expectation Maximization (ML-EM) method, a generic iterative algorithm to find maximum-likelihood estimates of parameters that has been applied to solve many different types of complex inverse problems. In particular, we discuss a bi-dimensional version of the method in which the photosensor signals integrated over time are used to reconstruct a transverse projection of the event. First results show that, when applied to detector simulation data, the algorithm achieves nearly optimal energy resolution (better than 0.5% FWHM at the Q value of (136)Xe) for events distributed over the full active volume of the TPC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Introducing the SLICE Method for estimating pebble-bed reactor inventories at equilibrium operation with SCALE

This paper introduces the SCALE Leap-In method for Cores at Equilibrium (SLICE) for estimating pebble-bed reactor equilibrium core isotopic inventories using capabilities in the SCALE code system, requiring only a small computational cluster and a few days of computation. This method uses an iterative approach that relies on (1) a surrogate spectrum model that captures spatial and time-dependent spectral conditions, (2) a multi-pass model that captures the pebble’s evolving nuclide inventory as a function of location and time in the core, and (3) a full-core model that captures the core’s spatial neutron flux distribution. The SLICE approach is applied to a generic fluoride salt–cooled high-temperature reactor, demonstrating fuel inventory convergence through nuclide concentration inspection across iterations and comparisons for core realizations with varying discretizations. Results agree within ~5% with another state-of-the-art code, with differences attributed to input parameter or modeling assumption variations in the equilibrium generation methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE

Analyses of cross section sensitivity data from systems with fissile material allow analysts to associate an importance for each material, nuclide, reaction, and neutron energy by simulating real world criticality scenarios. Although criticality safety validation efforts can be guided by the cross-section sensitivity and uncertainty data generated for a particular system, these calculations can often be computationally expensive and sometimes cumbersome without proper guidance. The TSUNAMI suite within the SCALE code package has several methods for generating sensitivity data, including multigroup and continuous energy (CE) capabilities. The release of SCALE 6.3 has three different CE methods for generating cross section sensitivity data: (1) the Iterated Fission Probability (IFP) method with the KENO Monte Carlo transport solver, (2) the IFP method with the Shift Monte Carlo transport solver, and (3) the Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method with the KENO Monte Carlo transport solver. Although the CLUTCH method has additional parameters for generating sensitivity data files relative to the IFP method, all three methods use latent generations, which are the generations between an event (i.e., fission) and the assessment of importance based on the asymptotic population of progeny neutrons. Increasing the number of latent generations in a calculation leads to increased discrimination of the sensitivity coefficients but at the cost of the increased uncertainty associated with those generated values. Analysts must balance the accuracy of the sensitivity calculations and its uncertainty with the associated computational cost involved in generating the values. This paper discusses the impact of adjusting the latent generation parameter for a range of sensitivity values and how these changes compare with the direct perturbation values obtained from a change of ±0.5% Δ k in both benchmark and safety application models. Two benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the MPC-32 dual purpose canister for spent nuclear fuel are used for analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1975

Numerical techniques for the linear, nonadiabatic stellar pulsation problem

The linear, nonadiabatic eigenvalue problem is formulated using Castor's method for calculating radial pulsations of stellar models. Both left and right eigenvectors are calculated. Initial eigenvalues for the linear, nonadiabatic solutions are obtained from the adiabatic eigenvalues and left and right eigenvectors. The orthogonality relation is obtained. Simple formulas for the Newton method are given. The iteration procedure is constrained to improve convergence. The Newton method is less satisfactory than the secant method for difficult cases. The linear, nonadiabatic solutions are shown to be sensitive to the number of zones with tau smaller than 2/3, and the value of (P/P sub r) surface or tau (surface). Optimum values can be determined for the number of zones and tau (surface). Application of the method to Population II Cepheids is briefly presented.

Bednarek, T. A.↗
NASA NTRS1987

The derivation of vector magnetic fields from Stokes profiles - Integral versus least squares fitting techniques

The results of two methods for deriving photospheric vector magnetic fields from the Zeeman effect, as observed in the Fe I line at 6302.5 A at high spectral resolution (45 mA), are compared. The first method does not take magnetooptical effects into account, but determines the vector magnetic field from the integral properties of the Stokes profiles. The second method is an iterative least-squares fitting technique which fits the observed Stokes profiles to the profiles predicted by the Unno-Rachkovsky solution to the radiative transfer equation. For sunspot fields above about 1500 gauss, the two methods are found to agree in derived azimuthal and inclination angles to within about + or - 20 deg.

Ronan, R. S.↗
NASA NTRS1991

A method for the retrieval of atomic oxygen density and temperature profiles from ground-based measurements of the O(+)(2D-2P) 7320 A twilight airglow

This paper describes a technique for extracting thermospheric profiles of the atomic-oxygen density and temperature, using ground-based measurements of the O(+)(2D-2P) doublet at 7320 and 7330 A in the twilight airglow. In this method, a local photochemical model is used to calculate the 7320-A intensity; the method also utilizes an iterative inversion procedure based on the Levenberg-Marquardt method described by Press et al. (1986). The results demonstrate that, if the measurements are only limited by errors due to Poisson noise, the altitude profiles of neutral temperature and atomic oxygen concentration can be determined accurately using currently available spectrometers.

Fennelly, J. A.↗
DOE OSTI2016

Numerical investigations on hot-zone modified DS furnace for mc-Si growth process

A transient global numerical model has been carried out to simulate the multi-crystalline silicon growth process by the directional solidification method using CGSim 15.1. A two dimensional axisymmetric model was used. The conductive, convective, and radiative heat transfer problems were coupled with our model and these problems were solved iteratively using the finite volume method. In the present work we have modified the heater element to produce a high quality ingot from multi-crystalline silicon. The change has been made to control the temperature distribution. By controlling the temperature distribution, we can also control the melt crystal interface of the ingot. The shape of the melt-crystal interface of the ingot, the temperature distribution in the crucible and the heat flux from the melt as well as from the crystal have been studied. Finally, the simulation results show that the modification in the heater element keeps the melt-crystal interface as planar in the DS system, also it gives better results than conventional system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Sensitivity-Uncertainty Based Nuclear Criticality Safety Validation

These are slides from a seminar given to the University of Mexico Nuclear Engineering Department. Whisper is a statistical analysis package developed to support nuclear criticality safety validation. It uses the sensitivity profile data for an application as computed by MCNP6 along with covariance files for the nuclear data to determine a baseline upper-subcritical-limit for the application. Whisper and its associated benchmark files are developed and maintained as part of MCNP6, and will be distributed with all future releases of MCNP6. Although sensitivity-uncertainty methods for NCS validation have been under development for 20 years, continuous-energy Monte Carlo codes such as MCNP could not determine the required adjoint-weighted tallies for sensitivity profiles. The recent introduction of the iterated fission probability method into MCNP led to the rapid development of sensitivity analysis capabilities for MCNP6 and the development of Whisper. Sensitivity-uncertainty based methods represent the future for NCS validation – making full use of today’s computer power to codify past approaches based largely on expert judgment. Validation results are defensible, auditable, and repeatable as needed with different assumptions and process models. The new methods can supplement, support, and extend traditional validation approaches.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Solar and Storage Integration in the U.S. Southeast: Implications for Resource Adequacy [Slides]

In this study, we evaluate how an iterative portfolio approach compares to a more traditional capacity credit method, using the U.S. Southeast as a case study region. Using open-source planning and resource adequacy tools, we compare results using a capacity credit approximation method with those from iterating behind the two. We also explore how the iterative approach performs under a range of sensitivities, including higher load growth, regional coordination, and alternative weather years. We find that traditional capacity credit approximation methods can function well in today's system, but may face challenges for systems with higher levels of solar and storage. As such, integrating planning and resource adequacy models can address some of these gaps, helping planners deliver more reliable systems.

14 SOLAR ENERGY↗
DOE OSTI2012

The Quantum Hydrodynamic Description of Tunneling

The quantum hydrodynamic approach is based on the de Broglie-Bohm formulation of quantum mechanics. The resulting fluid-like equations of motion describe the flow of probability and an accurate solution to these equations is equivalent to solving the time-dependent Schroedinger equation. Furthermore, the hydrodynamic approach provides new insight into the mechanisms as well as an alternative computational approach for treating tunneling phenomena. New concepts include well-defined 'quantum trajectories', 'quantum potential', and 'quantum force' all of which have classical analogues. The quantum potential and its associated force give rise to all quantum mechanical effects such as zero point energy, tunneling, and interference. A new numerical approach called the Iterative Finite Difference Method (IFDM) will be discussed. The IFDM is used to solve the set of non-linear coupled hydrodynamic equations. It is 2nd-order accurate in both space and time and exhibits exponential convergence with respect to the iteration count. The stability and computational efficiency of the IFDM is significantly improved by using a 'smart' Eulerian grid which has the same computational advantages as a Lagrangian or Arbitrary Lagrangian Eulerian (ALE) grid. The IFDM is also capable of treating anharmonic potentials. Example calculations using the IFDM will be presented which include: a one-dimensional Gaussian wave packet tunneling through an Eckart barrier, a one-dimensional bound-state Morse oscillator, and a two-dimensional (2D) model collinear reaction using an anharmonic potential energy surface. Approximate treatments of the quantum hydrodynamic equations will also be discussed which could allow scaling of the calculations to hundreds of degrees of freedom which is important for treating tunneling phenomena in condensed phase systems.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Some aspects of the inversion problem in remote sensing

Several commonly used methods for inversion--constrained linear inversion, synthesis (Backus-Gilbert) methods and nonlinear iterative techniques for the Chahine type--are discussed. It is demonstrated that a very close connection exists between Backus-Gilbert solutions and those given by constrained linear inversion. A number of examples of the application of such methods are presented, showing that resolution is not greatly different for quite different algorithms, a result quite in accord with general theoretical considerations: more resolution can be achieved at the expense of introducing greater a priori bias in the procedure.

Twomey, S.↗
DOE OSTI2013

A method for reducing the largest relative errors in Monte Carlo iterated-fission-source calculations

In Monte Carlo iterated-fission-source calculations relative uncertainties on local tallies tend to be larger in lower-power regions and smaller in higher-power regions. Reducing the largest uncertainties to an acceptable level simply by running a larger number of neutron histories is often prohibitively expensive. The uniform fission site method has been developed to yield a more spatially-uniform distribution of relative uncertainties. This is accomplished by biasing the density of fission neutron source sites while not biasing the solution. The method is integrated into the source iteration process, and does not require any auxiliary forward or adjoint calculations. For a given amount of computational effort, the use of the method results in a reduction of the largest uncertainties relative to the standard algorithm. Two variants of the method have been implemented and tested. Both have been shown to be effective. (authors)

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Medical Image Compression Using a New Subband Coding Method

A recently introduced iterative complexity- and entropy-constrained subband quantization design algorithm is generalized and applied to medical image compression. In particular, the corresponding subband coder is used to encode Computed Tomography (CT) axial slice head images, where statistical dependencies between neighboring image subbands are exploited. Inter-slice conditioning is also employed for further improvements in compression performance. The subband coder features many advantages such as relatively low complexity and operation over a very wide range of bit rates. Experimental results demonstrate that the performance of the new subband coder is relatively good, both objectively and subjectively.

Kossentini, Faouzi↗