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At least 271 records · Page 15

EXSAN: An Interactive Version of the Nuclear Cross Section Data Handbook - 25687

Neutron cross section measurements and data files have advanced significantly since 1989 when Los Alamos published 'A Nuclear Cross Section Data Handbook', a detailed compendium of point-wise cross section plots and pie charts of relative contributions of individual reactions to the total cross section for 129 isotopes. Other compendiums with similar data and analysis tools have also been published. The intent of this work is to develop a modern, open-source application for interactive exploration and analysis of Evaluated Nuclear Data File (ENDF) libraries that also allows users to create their own 'Nuclear Cross Section Data Handbooks'. EXSAN is an easy-to-use graphical user interface application for exploring ENDF photon and neutron cross sections developed in Python. In addition to interactive plotting, EXSAN includes methods for computing rank-order lists of cross section for any energy and calculating composite cross sections for isotopic and elemental compositions and additional batch automation features. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

Generating An Advanced Cross-section Library For HTGR Pebble Bed Depletion Calculations Using Reduced-Order Model Generation Techniques

For code development, Advanced Reactor Technologies - Gas Cooled Reactors Program (ART-GCR) rely on a collaboration with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, but the cross sections generation and the methodology definition is part of this program area goals. Based on previous studies in FY23, the size of microscopic cross section libraries increases rapidly with the number of tabulations, requiring significant amount of memory and drastically slowing down the Griffin calculations when evaluating cross sections via the multivariate linear interpolation approach. Rising to these challenges, this work investigates constructing Reduced-order Models (ROMs) for the multi-group microscopic cross sections to accelerate the cross section evaluation in Griffin. A database of multigroup cross sections is first collected considering all possible parameters that a designer could change for optimization. Down-selection of the ROM techniques afterward shows Deep Neural Network (DNN) as the best candidate when jointly consider memory efficiency, predictive accuracy, computational cost, scalability, flexibility and ease of implementation of the algorithms in comparison to the multidimensional interpolation. This work develops a specific interface that enables the cross section predictions using pre-trained DNN models into Griffin leveraging the existing ROM capabilities. DNNs have been trained for all isotopes for use in Griffin. Preliminary Griffin testing shows that DNNs exhibit exceptional predictive accuracy and the use of DNNs provides orders of magnitude improvement in memory efficiency compared to conventional interpolation techniques. With such ROM techniques, it holds great promise to further increase the fidelity of the Pebble Bed Reactor (PBR) simulation by increasing the number of tabulations/state variables during cross section evaluation, while maintaining the computational cost affordable in Griffin.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Reduce-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which usually consists of a database of tabulated values, used to calculate the cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of micro cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. To address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multi-group cross section data across isotopes, reaction types and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs for have been trained for all isotopes in this work and systematic Griffin testing is ongoing at this moment to ensure the feasibility of this ROM technique for cross section predictions.

42 - ENGINEERING↗

Advanced Cross Section Library Generation using Reduced Order Models

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which consist of databases of tabulated values, used to calculate the neutron cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of microscopic cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. In order to address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multigroup cross section data across isotopes, reaction types, and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs have been trained for all isotopes in this work and systematic Griffin testing is ongoing to ensure the feasibility of this ROM technique for predicting cross section and reducing memory requirements without a significant sacrifice in computational performance.

42 - ENGINEERING↗

Characterization of uncertainties in electron-argon collision cross sections

Abstract The predictive capability of a plasma discharge model depends on accurate representations of electron-impact collision cross sections, which determine the corresponding reaction rates and electron transport properties. The values of cross sections can be known only approximately either through experiments or simulations and are thus subject to uncertainties. Quantifying the uncertainties in plasma simulations allows us to assess the reliability of simulations and to provide a basis for interpreting discrepancies between simulations and experiments. For such uncertainty quantification of plasma simulations, it is essential to quantify the uncertainties of the underlying cross sections. Although much effort has been committed to calibrate the cross section values, their uncertainties are not well investigated. We characterize uncertainties in electron-argon atom collision cross sections using a Bayesian framework. Six collision processes—elastic momentum transfer, ionization, and four excitations—are characterized with semi-empirical models, which effectively capture the features important to the macroscopic properties of the plasma. A probability model for the uncertain parameters of these semi-empirical models is developed. Specifically, a Gaussian-process likelihood model is proposed to capture discrepancies among data sets, as well as the model-form inadequacies of the semi-empirical models. Two other likelihood models are compared with the proposed Gaussian-process model, to illustrate the importance of the choice of the likelihood model. The cross section models are calibrated using the electron-beam experiments and ab-inito quantum simulations. The resulting calibrated uncertainties capture well the scattering among the data sets. The calibrated cross section models are further validated against swarm-parameter experiments and zero-dimensional Boltzmann equation simulations of widely used cross section datasets.

Chung, Seung Whan (ORCID:0000000302501549)↗

Determining the 9 $\mathrm{Be}$($n, γ$) 10 $\mathrm{Be}$ integral cross section at fission neutron energies

The 9 B neutron capture cross section has significant implications for Be materials in the nuclear industry as well as the α process in stellar nucleosynthesis. While the cross section is well constrained at thermal neutron energies, there is a lack of experimental data at higher neutron energies, and the evaluated nuclear data libraries can differ by up to two orders of magnitude. We calculate the 9 Be(n, γ) 10 Be integral cross section at fission neutron energies in an effort to resolve disagreements amongst the nuclear data libraries. Foil irradiation experiments were performed using the Flattop critical assembly at the National Criticality Experiments Research Center with either the highly enriched U or Pu cores, with target foil stacks placed at multiple locations to exploit different neutron energy profiles. Accelerator mass spectrometry was used to measure the 10 Be/ 9 Be ratio in irradiated Be foils, while all other activation products were quantified through gamma spectrometry. The experiments were simulated using the Monte Carlo N-Particle radiation transport code and combined with experimental results to determine the total neutron fluence, while the staysl-pnnl suite and fispact-ii code were used to validate the model and assess the systematic uncertainty. The new 9 Be(n, γ) 10 Be integral cross sections calculated in this work are 26.5 ± 2.2µb at 0.59 ± 0.07 MeV, 24 ± 3 µb at 0.98 ± 0.14 MeV, 21.7 ± 1.3 µb at 1.26 ± 0.11 MeV, 21.8 ± 1.4 µb at 1.32 ± 0.11 MeV, and 18.6 ± 1.1 µb at 1.46 ± 0.13 MeV. These results do not agree with integral cross sections from any of the nuclear data library evaluations. Discrepancies between the new integral cross sections reported here and the nuclear data libraries suggest a more complex cross-section structure in the MeV range which allows for more resonance contributions, and more work is needed to further constrain the evaluated cross sections.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Monoenergetic photon-induced fission cross-section ratio measurements for U 235 , U 238 , and Pu 239 from 9.0 to 17.0 MeV

Background: High-accuracy data are needed to advance microscopic descriptions of the nuclear fission process, to improve the predictive precision of phenomenological models, and for applications in nuclear energy and homeland security. Purpose: In this work, the main goal is to provide high-accuracy cross-section data for photofission of 235 U, 238 U, and 239 Pu in the energy range from the fission threshold to the high-energy tail of the giant dipole resonance. These new data should contribute significantly to the reduction of the systematic uncertainty in evaluated photofission cross-section databases. Method: Cross-section ratios for photofission of the “big three” actinide nuclei were measured using a quasimonoenergetic photon beam and dual-fission chambers. The measurements were performed at the HIγS facility using a photon beam produced from Compton backscattering of free-electron laser light. The dual-fission chamber enabled simultaneous counting of fission events from two targets. This method allows for cross-section ratio measurements with very small systematic errors. The largest source of systematic error in the determination of the cross-section ratios is the uncertainty in the ratio of the target thicknesses. Results: We report photon-induced fission cross-section ratios for σ[ 235 U(γ,f) / 238 U(γ,f)] , σ[235U(γ,f) / 239 Pu(γ,f)] , and σ[ 238 U(γ,f) / 239 Pu(γ,f)] at photon energies from 9.0–17.0 MeV. More than 20 data points were measured for each ratio, and the systematic uncertainties are less than 2%. Conclusion: The present photofission cross-section ratio data sets are compared to ratios computed from previous measurements, to the corresponding neutron-induced fission cross-section ratios, and to ratios computed from evaluated databases. Finally, the data obtained in this work for σ[ 235 U(γ,f) / 238 U(γ,f)] are consistent with the existing data, while for σ[ 235 U(γ,f) / 239 Pu(γ,f)] and σ[ 238 U(γ,f) / 239 Pu(γ,f)] the present data are systematically lower.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Methods for obtaining true particle size distributions from cross section measurements

Sectioning methods are frequently used to measure grain sizes in materials. These methods do not provide accurate grain sizes for two reasons. First, the sizes of features observed on random sections are always smaller than the true sizes of solid spherical shaped objects, as noted by Wicksell [1]. This is the case because the section very rarely passes through the center of solid spherical shaped objects randomly dispersed throughout a material. The sizes of features observed on random sections are inversely related to the distance of the center of the solid object from the section [1]. Second, on a plane section through the solid material, larger sized features are more frequently observed than smaller ones due to the larger probability for a section to come into contact with the larger sized portion of the spheres than the smaller sized portion. As a result, it is necessary to find a method that takes into account these reasons for inaccurate particle size measurements, while providing a correction factor for accurately determining true particle size measurements. I present a method for deducing true grain size distributions from those determined from specimen cross sections, either by measurement of equivalent grain diameters or linear intercepts.

36 MATERIALS SCIENCE↗

MC 2 -3: Multigroup Cross Section Generation Code for Fast Reactor Analysis

The MC 2 -3 code is a Multigroup Cross section generation Code for fast reactor analysis, developed by improving the resonance self-shielding and spectrum calculation methods of MC 2 -2 and integrating the one-dimensional cell calculation capabilities of SDX. The code solves the consistent P1 multigroup transport equation using basic neutron data from ENDF/B data files to determine the fundamental mode spectra for use in generating multigroup neutron cross sections. A homogeneous medium or a heterogeneous slab or cylindrical unit cell problem is solved in ultrafine (~2000) or hyperfine (~400,000) group levels. In the resolved resonance range, pointwise cross sections are reconstructed with Doppler broadening at specified isotopic temperatures. The pointwise cross sections are directly used in the hyperfine group calculation whereas for the ultrafine group calculation, self-shielded cross sections are prepared by numerical integration of the pointwise cross sections based upon the narrow resonance approximation. For both the hyperfine and ultrafine group calculations, unresolved resonances are self-shielded using the analytic resonance integral method. The ultrafine group calculation can also be performed for two-dimensional whole-core problems to generate region-dependent broad-group cross sections. Multigroup cross sections are written in the ISOTXS format for a user-specified group structure. The code is executable on UNIX, Linux, and PC Windows systems, and its library includes all isotopes of the ENDF/BVII. 0 data.

20 FOSSIL-FUELED POWER PLANTS↗

PROBLEM DEPENDENT DOPPLER BROADENING OF CONTINUOUS ENERGY CROSS SECTIONS IN THE KENO MONTE CARLO COMPUTER CODE

For many Monte Carlo codes cross sections are generally only created at a set of predetermined temperatures. This causes an increase in error as one moves further and further away from these temperatures in the Monte Carlo model. This paper discusses recent progress in the Scale Monte Carlo module KENO to create problem dependent, Doppler broadened, cross sections. Currently only broadening the 1D cross sections and probability tables is addressed. The approach uses a finite difference method to calculate the temperature dependent cross-sections for the 1D data, and a simple linear-logarithmic interpolation in the square root of temperature for the probability tables. Work is also ongoing to address broadening theS (alpha , beta) tables. With the current approach the temperature dependent cross sections are Doppler broadened before transport starts, and, for all but a few isotopes, the impact on cross section loading is negligible. Results can be compared with those obtained by using multigroup libraries, as KENO currently does interpolation on the multigroup cross sections to determine temperature dependent cross-sections. Current results compare favorably with these expected results.

Monte Carlo↗

Electronic assembly having sectional thermal management

The first board section comprises a switching module with heat-generating semiconductor switches associated with a first operational temperature range. The first board section has a first conductive layer of a first thickness. The second board section comprises a plurality of capacitors mounted on a second circuit board. The second board section has conductive traces for interconnecting the capacitors as a network. The capacitors are associated with a second operational temperature range that is lower than the first operational temperature range. A thermal isolation intermediary forms a barrier between, or adjoining, the first board section and the second board section, where the first board section and the second board section are spaced part from each other by the thermal isolation intermediary.

Schmit, Christopher J.↗

Reduced-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Abstract – Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which consist of databases of tabulated values, used to calculate the neutron cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of microscopic cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. In order to address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multigroup cross section data across isotopes, reaction types, and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs have been trained for all isotopes in this work and systematic Griffin testing is ongoing to ensure the feasibility of this ROM technique for predicting cross section and reducing memory requirements without a significant sacrifice in computational performance.

42 - ENGINEERING↗

Electron impact rotationally elastic total cross section for formamide

This paper reports computational results of the total cross sections for electron impact on formamide (HCONH₂) over a wide range of energies from 0.01 eV to 5 keV. Total cross sections over such a wide range are reported for the first time as the earlier reported data is up to maximum of 12 eV. Below ionization threshold of the target, we performed ab initio calculations using UK molecular R-Matrix code within static, exchange plus polarization (SEP), and close coupling approximations. Twenty eight target states are included in close coupling formalism. Total 350 channels and 2410 configuration state functions are included in the calculations. We observe a π* shape resonance at 3.41 eV and a σ* resonance at 15.3 eV as against similar resonances reported at 3.77 eV and 14.9 eV, respectively, by Goumans et al. [J. Chem. Theory Comput. 5, 217 (2009)] using SEP model. The cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent with a smooth cross over at 18 eV. The vertical excitation energies, electronic excitation cross sections, differential cross sections, momentum transfer, and total cross sections are computed. In absence of experimental data, we compared our computed total cross sections with available other theoretical results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution

Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400–500 Å{sup 2} would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C{sub 960} (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Collisional Cross-Sections with T-Wave Ion Mobility Spectrometry without Experimental Calibration

A method for relating traveling-wave ion mobility spectrometry (TWIMS) drift times with collisional cross-sections using computational simulations is presented. This method is developed using SIMION modeling of the TWIMS potential wave and equations that describe the velocity of ions in gases induced by electric fields. The accuracy of this method is assessed by comparing the collisional cross-sections of 70 different reference ions obtained using this method with those obtained from static drift tube ion mobility measurements. The cross-sections obtained here with low wave velocities are very similar to those obtained using static drift (average difference = 0.3%) for ions formed from both denaturing and buffered aqueous solutions. In contrast, the cross-sections obtained with high wave velocities are significantly greater, especially for ions formed from buffered aqueous solutions. These higher cross-sections at high wave velocities may result from high-order factors not accounted for in the model presented here or from the protein ions unfolding during TWIMS. Results from this study demonstrate that collisional cross-sections can be obtained from single TWIMS drift time measurements, but that low wave velocities and gentle instrument conditions should be used in order to minimize any uncertainties resulting from high-order effects not accounted for in the present model and from any protein unfolding that might occur. Thus, the method presented here eliminates the need to calibrate TWIMS drift times with collisional cross-sections measured using other ion mobility devices. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantitative Collision Cross-Sections from FTICR Linewidth Measurements: Improvements in Theory and Experiment

Two corrections to the equation used in the cross-sectional areas by Fourier transform ion cyclotron resonance (“CRAFTI”) technique are identified. In CRAFTI, ion collision cross-sections are obtained from the pressure-dependent ion linewidths in Fourier transform mass spectra. The effects of these corrections on the accuracy of the cross-sections obtained using the CRAFTI technique are evaluated experimentally using the 20 biogenic amino acids and several crown ether complexes with protonated alkyl monoamines. Good absolute agreement is obtained between the CRAFTI cross-sections and the corresponding cross-sections obtained using both static drift ion mobility spectrometry and computational simulations. These results indicate that the CRAFTI cross-sections obtained using the updated equation presented here are quantitatively descriptive of the size and shape of the gas-phase ions. Cross-sections that differ by less than 3% are measured for the isobaric isomers n-butylamine and tert-butylamine complexed with the crown ethers. This level of precision is similar to what has been achieved previously using traveling wave ion mobility devices. These results indicate that CRAFTI can be used to probe subtle structural differences between ions with approximately the same precision as that achieved in traveling wave ion mobility devices. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Calculations of photo-induced X-ray production cross-sections in the energy range 1–150 keV and average fluorescence yields for Zn, Cd and Hg

In this paper, we calculate the K-, L- and M-shells X-ray production, and X-ray fluorescence cross-sections after photo-induced ionization, for Zn, Cd, and Hg, and for incident photon energy range from 1 to 150 keV. For this purpose, the corresponding average fluorescence yields for Zn, Cd, and Hg as well as the photoionization cross-sections were calculated using the Dirac–Fock method. Subshell fluorescence, intrashell and intershell yields are obtained consistently from radiative and radiationless transitions calculated in the exact same method. A comprehensive account of the relations between the X-ray production, X-ray fluorescence cross-sections and the photoionization cross-sections and these yields is presented. Comparisons are made with results from other authors. The obtained values for the photoionization cross-sections are in good agreement with the widely used data of Scofield in the studied energy range. However our results for the X-ray fluorescence cross sections seem to favor some data relatively to others. The energy dependence of the average fluorescence yields is discussed, in particular, the reliability of extrapolated data for lighter elements from measurements and calculations in heavier elements above the inner shell absorption edges is questioned. Tabulated data on photoionization and X-ray production cross-sections are presented for the incident photon energy range 1–150 keV in steps of 1 keV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Measurement of electron impact collisional excitation cross sections of Ni to Ge-like gold

We have measured the collisional excitation cross sections for the 3d→4f and 3d→5f excitations in Au ions near the Ni-like charge state by using beam plasmas created in the Livermore electron beam ion trap EBIT-I. The cross sections have been experimentally determined at approximately 1, 2 and 3 keV above the threshold energy, ET, for the 3d→4f excitations (ET ~2.5 keV) and at approximately 0.1, 1 and 2 keV above the threshold energy for the 3d→5f excitations (ET ~3.3 keV). The cross section measurements were made possible by using the GSFC x-ray microcalorimeter at the Livermore EBIT facility. The absolute cross sections are determined from the ratio of the intensity of the collisionally excited bound-bound transitions to the intensity of the radiative recombination lines produced in EBIT-I plasmas. The effects of polarization and Auger decay channels are accounted for in the cross section determination. Measured cross sections are compared with those from HULLAC, DWS and FAC calculations. Finally, the measurements demonstrate that some errors exist in the calculated excitation cross sections.

74 ATOMIC AND MOLECULAR PHYSICS↗