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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Total reaction cross sections in CEM and MCNP6 at intermediate energies

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used in the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Following electron impact excitations of single Os, Pt, Hg, Pb and Po atom L subshells ionization cross section calculations by using Lotz’s equation

L shell ionization cross section and {sub Li} subshells ionization cross sections of Os, Pt, Hg, Pb, Po atoms calculated. For each atom, ten different electron impacty energy values E{sub oi} used. Calculations carried out by using nonrelativistic Lotz equation in Matlab. Ionization cross section values obtained for Eoi values in the energy range of E{sub Li} ≤E{sub oi}≤4E{sub Li} for each atom. Starting allmost from E{sub oi} = E{sub Li} (i = 1,2,3) values of the each subshell ionization threshold energy, ionization cross section are increasing rapidly with E{sub oi}. For a fixed E{sub oi} = 3. E{sub Li} values, while Z increases from Z = 76 to Z = 84, ionization cross section are decrease. These results help to understand some results which obtained from other electron-sigle atom impact studies on σ{sub Li} subshells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections

In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in the high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7{sup ∘} to 110{sup ∘}. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

O2 absorption cross sections /187-225 nm/ from stratospheric solar flux measurements

The absorption cross sections of molecular oxygen are calculated in the wavelength range from 187 to 230 nm from solar flux measurements obtained within the stratosphere. Within the Herzberg continuum wavelength region the molecular oxygen cross sections are found to be about 30% smaller than the laboratory results of Shardanand and Rao (1977) from 200 to 210 nm and about 50% smaller than those of Hasson and Nicholls (1971). At wavelengths longer than 210 nm the cross sections agree with those of Shardanand and Rao. The effective absorption cross sections of O2 in the Schumann-Runge band region from 187 to 200 nm are calculated and compared to the empirical fit given by Allen and Frederick (1982). The calculated cross sections indicate that the transmissivity of the atmosphere may be underestimated by the use of the Allen and Frederic cross sections between 195 and 200 nm. The ozone column content between 30 and 40 km and the relative ozone cross sections are determined from the same solar flux data set.

Herman, J. R.↗
DOE OSTI2015

SU-E-I-43: Photoelectric Cross Section Revisited

Purpose: The importance of the precision in photoelectric cross-section value increases for recent developed technology such as dual energy computed tomography, in which some reconstruction algorithms require the energy dependence of the photo-absorption in each material composition of human being. In this study, we revisited the photoelectric cross-section calculation by self-consistent relativistic Hartree-Fock (HF) atomic model and compared with that widely distributed as “XCOM database” in National Institute of Standards and Technology, which was evaluated with localdensity approximation for electron-exchange (Fock)z potential. Methods: The photoelectric cross section can be calculated with the electron wave functions in initial atomic state (bound electron) and final continuum state (photoelectron). These electron states were constructed based on the selfconsistent HF calculation, where the repulsive Coulomb potential from the electron charge distribution (Hartree term) and the electron exchange potential with full electromagnetic interaction (Fock term) were included for the electron-electron interaction. The photoelectric cross sections were evaluated for He (Z=2), Be (Z=4), C (Z=6), O (Z=8), and Ne (Z=10) in energy range of 10keV to 1MeV. The Result was compared with XCOM database. Results: The difference of the photoelectric cross section between the present calculation and XCOM database was 8% at a maximum (in 10keV for Be). The agreement tends to be better as the atomic number increases. The contribution from each atomic shell has a considerable discrepancy with XCOM database except for K-shell. However, because the photoelectric cross section arising from K-shell is dominant, the net photoelectric cross section was almost insensitive to the different handling in Fock potential. Conclusion: The photoelectric cross-section program has been developed based on the fully self-consistent relativistic HF atomic model. Due to small effect on the Fock potential for K-shell electrons, the difference from XCOM database was limited: 1% to 8% for low-Z elements in 10keV-1MeV energy ranges. This work was partly supported by the JSPS Core-to-Core Program (No. 23003)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

The calculation of radial dose from heavy ions: predictions of biological action cross sections

The track structure model of heavy ion cross sections was developed by Katz and co-workers in the 1960s. In this model the action cross section is evaluated by mapping the dose-response of a detector to gamma rays (modeled from biological target theory) onto the radial dose distribution from delta rays about the path of the ion. This is taken to yield the radial distribution of probability for a "hit" (an interaction leading to an observable end-point). Radial integration of the probability yields the cross section. When different response from ions of different Z having the same stopping power is observed this model may be indicated. Since the 1960s there have been several developments in the computation of the radial dose distribution, in the measurement of these distributions, and in new radiobiological data against which to test the model. The earliest model, by Butts and Katz made use of simplified delta ray distribution functions, of simplified electron range-energy relations, and neglected angular distributions. Nevertheless it made possible the calculation of cross sections for the inactivation of enzymes and viruses, and allowed extension to tracks in nuclear emulsions and other detectors and to biological cells. It set the pattern for models of observable effects in the matter through which the ion passed. Here we outline subsequent calculations of radial dose which make use of improved knowledge of the electron emission spectrum, the electron range-energy relation, the angular distribution, and some considerations of molecular excitation, of particular interest both close to the path of the ion and the outer limits of electron penetration. These are applied to the modeling of action cross sections for the inactivation of several strains of E-coli and B. subtilis spores where extensive measurements in the "thin-down" region have been made with heavy ion beams. Such calculations serve to test the radial dose calculations at the outer limit of electron penetration. We lack data from which to test these calculations in regions close to the path of the ion aside from our earliest work on latent tracks in plastics, though it appears that the criterion then suggested for the threshold of track formation, of a minimal dose at a minimal distance (of about 20 angstroms, in plastics), remains valid.

NASA Discipline Radiation Health↗
NASA NTRS1986

Absorption cross section measurements of oxygen in the wavelength region 195-241 nm of the Herzberg continuum

The continuous absorption cross section of oxygen in the region 205-241 nm is studied as a function of path length and oxygen pressure. The technique used to study the continuous absorption cross section is described. Cross section measurements of oxygen in the wavelength region 193-205 nm obtained by Cheung et al. (1984) are applied in this experiment. The measured cross section is analyzed in terms of a Herzberg continuum and a pressure-dependent continuum. The total measured continuum cross section, the cross section involving two molecules of O2, and the Herzberg continuum absorption cross section values are calculated. It is observed that the Herzberg continuum cross section of oxygen values measured at 1 nm intervals in the region 195-241 nm, increase from 6.3 x 10 to the -24th sq cm at 195 nm to a maximum of 6.6 x 10 to the -24th sq cm at 201 nm and then decrease to 0.85 x 10 to the -24th sq cm at 241 nm. The Herzberg values are compared with data from previous investigations and the values correlate well.

Cheung, A. S.-C.↗
DOE OSTI2015

Development and Testing of Neutron Cross Section Covariance Data for SCALE 6.2

Neutron cross-section covariance data are essential for many sensitivity/uncertainty and uncertainty quantification assessments performed both within the TSUNAMI suite and more broadly throughout the SCALE code system. The release of ENDF/B-VII.1 included a more complete set of neutron cross-section covariance data: these data form the basis for a new cross-section covariance library to be released in SCALE 6.2. A range of testing is conducted to investigate the properties of these covariance data and ensure that the data are reasonable. These tests include examination of the uncertainty in critical experiment benchmark model k eff values due to nuclear data uncertainties, as well as similarity assessments of irradiated pressurized water reactor (PWR) and boiling water reactor (BWR) fuel with suites of critical experiments. The contents of the new covariance library, the testing performed, and the behavior of the new covariance data are described in this paper. The neutron cross-section covariances can be combined with a sensitivity data file generated using the TSUNAMI suite of codes within SCALE to determine the uncertainty in system k eff caused by nuclear data uncertainties. The Verified, Archived Library of Inputs and Data (VALID) maintained at Oak Ridge National Laboratory (ORNL) contains over 400 critical experiment benchmark models, and sensitivity data are generated for each of these models. The nuclear data uncertainty in k eff is generated for each experiment, and the resulting uncertainties are tabulated and compared to the differences in measured and calculated results. The magnitude of the uncertainty for categories of nuclides (such as actinides, fission products, and structural materials) is calculated for irradiated PWR and BWR fuel to quantify the effect of covariance library changes between the SCALE 6.1 and 6.2 libraries. One of the primary applications of sensitivity/uncertainty methods within SCALE is the assessment of similarities between benchmark experiments and safety applications. This is described by a c k value for each experiment with each application. Several studies have analyzed typical c k values for a range of critical experiments compared with hypothetical irradiated fuel applications. The c k value is sensitive to the cross-section covariance data because the contribution of each nuclide is influenced by its uncertainty; large uncertainties indicate more likely bias sources and are thus given more weight. Changes in c k values resulting from different covariance data can be used to examine and assess underlying data changes. These comparisons are performed for PWR and BWR fuel in storage and transportation systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

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

Simple, empirical approach to predict neutron capture cross sections from nuclear masses

Here, neutron capture cross sections are essential to understanding the astrophysical s and r processes, the modeling of nuclear reactor design and performance, and for a wide variety of nuclear forensics applications. Often, cross sections are needed for nuclei where experimental measurements are difficult. Enormous effort, over many decades, has gone into attempting to develop sophisticated statistical reaction models to predict these cross sections. Such work has met with some success but is often unable to reproduce measured cross sections to better than 40%, and has limited predictive power, with predictions from different models rapidly differing by an order of magnitude a few nucleons from the last measurement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Survival-mediated capture and fusion cross sections for heavy-element synthesis

The cross section for producing a heavy evaporation residue σ EVR in a fusion reaction can be written as a product of three nonseparable factors, i.e., the capture cross section, the fusion probability P CN , and the survival probability W sur . Each of these factors is dependent on the spin. However, one must remember that the W sur term is zero or very small for higher spin values, thus effectively limiting the capture and fusion terms. For a series of ~287 reactions leading to heavy evaporation residues with Z CN ≤ 110, here we point out the implications of this fact for capture cross sections for heavy element formation reactions. From a comparison of calculated and measured evaporation residue cross sections we deduce values of the fusion probability P CN for some of these reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

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↗
NASA NTRS1992

Fragmentation cross sections of 16O between 0.9 and 200 GeV/nucleon

Inclusive cross sections for high energy interactions at 0.9, 2.3, 3.6, and 13.5 GeV/nucleon of 16O with C, CR-39 (C12H18O7), CH2, Al, Cu, Ag, and Pb targets were measured. The total charge-changing cross sections and partial charge-changing cross sections for the production of fragments with charge Z = 6 and Z = 7 are compared to previous experiments at 60 and 200 GeV/nucleon. The contributions of Coulomb dissociation to the total cross sections are calculated. Using factorization rules the partial electromagnetic cross sections are separated from the nuclear components. Energy dependence of both components are investigated and discussed.

NASA Program Radiation Health↗
DOE OSTI2014

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↗
DOE OSTI2020

Consistency of $^{16}O(n,α)$ cross sections

The evaluated $^{16}O(n,α)$ cross sections in the ENDF/B-VIII.0 nuclear data library remain uncertain because of systematic discrepancies in the measured data. In the energy region below the first excited state, R-matrix analyses rely heavily on the inverse reaction, and in particular, they rely on the measured $^{13}C(α,n)^{16}O$ cross sections reported by Bair et al. in 1973 and Harissopulos et al. in 2005. The Harissopulos cross section values are systematically lower than those previously reported by Bair. Here, drawing on the available experimental information, this paper briefly describes and demonstrates that the two sets of measured cross sections are consistent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

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 ↗
DOE OSTI2014

Cross Sections for Inner-Shell Ionization by Electron Impact

An analysis is presented of measured and calculated cross sections for inner-shell ionization by electron impact. We describe the essentials of classical and semiclassical models and of quantum approximations for computing ionization cross sections. The emphasis is on the recent formulation of the distorted-wave Born approximation by Bote and Salvat [Phys. Rev. A 77, 042701 (2008)] that has been used to generate an extensive database of cross sections for the ionization of the K shell and the L and M subshells of all elements from hydrogen to einsteinium (Z = 1 to Z = 99) by electrons and positrons with kinetic energies up to 1 GeV. We describe a systematic method for evaluating cross sections for emission of x rays and Auger electrons based on atomic transition probabilities from the Evaluated Atomic Data Library of Perkins et al. [Lawrence Livermore National Laboratory, UCRL-ID-50400, 1991]. We made an extensive comparison of measured K-shell, L-subshell, and M-subshell ionization cross sections and of Lα x-ray production cross sections with the corresponding calculated cross sections. We identified elements for which there were at least three (for K shells) or two (for L and M subshells) mutually consistent sets of cross-section measurements and for which the cross sections varied with energy as expected by theory. The overall average root-mean-square deviation between the measured and calculated cross sections was 10.9% and the overall average deviation was −2.5%. This degree of agreement between measured and calculated ionization and x-ray production cross sections was considered to be very satisfactory given the difficulties of these measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2009

Pion Total Cross Section in Nucleon - Nucleon Collisions

Total cross section parameterizations for neutral and charged pion production in nucleon - nucleon collisions are compared to experimental data over the projectile momentum range from threshold to 300 GeV. Both proton - proton and proton - neutron reactions are considered. Overall excellent agreement between parameterizations and experiment is found, except for notable disagreements near threshold. In addition, the hypothesis that the neutral pion production cross section can be obtained from the average charged pion cross section is checked. The theoretical formulas presented in the paper obey this hypothesis for projectile momenta below 500 GeV. The results presented provide a test of engineering tools used to calculate the pion component of space radiation.

Norbury, John W.↗