Partial Cross Sections Research Articles

An experimental and theoretical study of the Kr 3d correlation satellites

The Kr 3d correlation satellites have been studied experimentally by using plane polarized synchrotron radiation to record polarization dependent photoelectron spectra (PES), and theoretically by employing the R-matrix method to calculate photoionization cross sections, PES and angular distributions. The experimental spectra have allowed the photoelectron anisotropy parameters characterizing the angular distributions, and the intensity branching ratios, related to the photoionization partial cross sections, to be evaluated. The results are discussed in terms of normal and conjugate shake-up processes. The experimental and calculated photoelectron angular distributions associated with those correlation satellites that arise predominantly through conjugate shake-up mechanisms are shown to be isotropic. In contrast, the anisotropy parameters associated with satellites due to normal shake-up processes exhibit a dependence on electron kinetic energy similar to that of the anisotropy parameters corresponding to the Kr 3d main lines. The theoretical results include an analysis of the partial waves representing the emitted photoelectron and, for certain correlation satellites, show that a particular ionization continuum dominates. This, in turn, may allow the dominant normal or conjugate shake-up mechanism forming the satellite to be identified.

Border of the island of inversion: Unbound states in Ne29

The nucleus $^{29}$Ne is situated at the border of the island of inversion. Despite significant efforts, no bound low-lying intruder $f_{7/2}$-state, which would place $^{29}$Ne firmly inside the island of inversion, has yet been observed. Here, the first investigation of unbound states of $^{29}$Ne is reported. The states were populated in $^{30}\mathrm{Ne}(p,pn)$ and $^{30}\mathrm{Na}(p,2p)$ reactions at a beam energy of around $230$ MeV/nucleon, and analyzed in terms of their resonance properties, partial cross sections and momentum distributions. The momentum distributions are compared to calculations using the eikonal, direct reaction model, allowing $\ell$-assignments for the observed states. The lowest-lying resonance at an excitation energy of 1.48(4) MeV shows clear signs of a significant $\ell$=3-component, giving first evidence for $f_{7/2}$ single particle strength in $^{29}$Ne. The excitation energies and strengths of the observed states are compared to shell-model calculations using the sdpf-u-mix interaction

Partial Cross-Section Calculations for PGNAA Based on a Deterministic Neutron Transport Solver

The measurement facility QUANTOM is being developed for the material analysis of radioactive waste packed up in 200-L drums. QUANTOM enables a spatially resolved elemental analysis based on prompt gamma neutron activation analysis. The evaluation of the spatially resolved gamma spectra relies on the calculation of partial cross sections. Hereby, the neutron flux spectrum enters as a parameter, which needs to be simulated in the full three-dimensional geometry of the measurement facility. To ensure that the simulations can be carried out within an acceptable time frame, we use a deterministic neutron transport code specially developed for this purpose based on the SPN approximation of the linear Boltzmann equation. The following question arises: Does the approximation in the neutron transport model still allow a calculation of the partial cross sections at a sufficient level of accuracy. Therefore, in this paper, we study the calculation of partial cross sections in light of the approximation in the neutron transport model in the geometrical setting of the measurement facility. In a simulation study we consider four typical matrix materials and compare cross sections for all elements of the periodic table to reference results obtained by Monte Carlo simulations.

Total Electron Detachment and Induced Cationic Fragmentation Cross Sections for Superoxide Anion (O2-) Collisions with Benzene (C6H6) Molecules.

In this study, novel experimental total electron detachment cross sections for O2− collisions with benzene molecules are reported for the impact energy range (10–1000 eV), as measured with a transmission beam apparatus. By analysing the positively charged species produced during the collision events, relative total ionisation cross sections were derived in the incident energy range of 160–900 eV. Relative partial ionisation cross sections for fragments with m/z ≤ 78 u were also given in this energy range. We also confirmed that heavier compounds (m/z > 78 u) formed for impact energies between 550 and 800 eV. In order to further our knowledge about the collision dynamics governing the fragmentation of such heavier molecular compounds, we performed molecular dynamics calculations within the framework of the Density Functional Theory (DFT). These results demonstrated that the fragmentation of these heavier compounds strongly supports the experimental evidence of m/z = 39–42, 50, 60 (u) cations formation, which contributed to the broad local maximum in the total ionisation observed from 550 to 800 eV. This work reveals the reactivity induced by molecular anions colliding with hydrocarbons at high energies, processes that can take place in the interstellar medium under various local conditions.

Analysis of the fusion mechanism in the synthesis of superheavy element 119 via the Cr54+Am243 reaction

The combined dinuclear system (DNS) and statistical model implanted in KEWPIE2 have been used to study the prospects for the synthesis of a superheavy element (SHE) with $Z=119$ in the $^{54}$Cr+$^{243}$Am fusion reaction. The method of calculation has been verified by description of the evaporation residue cross sections measured for the $^{48}$Ca+$^{243}$Am reaction. The calculated results of the partial and total cross sections for the complete fusion, quasifission, fast fission and evaporation residues formation for both reactions are discussed.

Classical and semiclassical calculations of state-selective cross sections for electron capture and excitation in Be4++H(2s) collisions

A computational study of ${\mathrm{Be}}^{4+}+\mathrm{H}(2s)$ collisions has been carried out. Two computational models have been employed: the classical trajectory Monte Carlo (CTMC) method and the numerical solution of the time-dependent Schr\"odinger equation (GTDSE). The integral $n$ and $nl$ partial cross sections for H excitation and electron capture, obtained with both methods, are compared at two energies: 20 and 100 keV/u. It is shown that the CTMC, with an improved hydrogenic initial distribution, provides excitation cross sections in good agreement with the numerical calculation for excitation to $\mathrm{H}(n$) with $n>3$. The agreement between the corresponding $nl$ partial cross sections from both methods is less satisfactory at 100 keV/u, where there is a transition from the low-energy mechanism that involves an increase of the populations with $l$, and the high-energy mechanism, where the dipole-allowed transitions are dominant. The electron capture cross sections calculated with the CTMC method do not depend on the initial distribution and show a reasonable agreement with the GTDSE ones, which supports the use of the CTMC method to calculate electron capture cross sections into highly excited levels and total cross sections. The mechanism of the electron capture process is discussed and CTMC calculations of the ionization process are also presented.

A binary-encounter-Bethe approach to compute electron-impact partial ionization cross sections of plasma relevant molecules such as hexamethyldisiloxane and silane

Electron-impact partial ionization cross sections (PICS) of fragments are reported from threshold to 5 keV energy using a modified form of the binary-encounter-Bethe model. Scaling using mass spectrometry data ensures that the cross sections are of the correct order of magnitude. The total ionization cross sections (TICS) were obtained by summing the PICS of fragments. The PICS and TICS obtained from the modified-binary-encounter-Bethe model are in excellent agreement with the experimental and theoretical results. The molecules investigated are hexamethyldisiloxane and silane. Both these species are highly relevant in plasma processing where the PICS are required to be over an extended energy range. The study of the ionization process in conjunction with mass spectrometry provides correct estimates of the contribution that each charged ion makes to the TICS. The present approach can be easily extended to any species provided that ion energetics and relative cation abundances data are available.

Hadron interactions for arbitrary energies and species, with applications to cosmic rays

The Pythia event generator is used in several contexts to study hadron and lepton interactions, notably mathrm{p}mathrm{p} and mathrm{p}{bar{mathrm{p}}} collisions. In this article we extend the hadronic modelling to encompass the collision of a wide range of hadrons h with either a proton or a neutron, or with a simplified model of nuclear matter. To this end we model hmathrm{p} total and partial cross sections as a function of energy, and introduce new parton distribution functions for a wide range of hadrons, as required for a proper modelling of multiparton interactions. The potential usefulness of the framework is illustrated by a simple study of the evolution of cosmic rays in the atmosphere, and by an even simpler one of shower evolution in a solid detector material. The new code will be made available for future applications.

Effects of Radiative Cascades on the Partial Radiative Recombination Cross Sections of Bare Ions

Effects of Radiative Cascades on the Partial Radiative Recombination Cross Sections of Bare Ions

Basic features of Ne*-HX (X = Cl, Br) chemi-ionization reactions.

Total and partial ionization cross sections for Ne*(3P2,0)–HX (X = Cl, Br) are presented in a comparative way as a function of the collision energy between 0.02–0.5 eV. New mass spectrometric data on Ne*–HBr chemi-ionization are discussed and analyzed with already published data on Ne*–HCl, highlighting similarities and differences of the collisional stereodynamics of the two systems. Basic features of the interaction potentials, driving reactive collisions, suggest that reaction channels, leading to the formation of parent HX+ ions in the ground and excited electronic state and to the formation of associated NeHX+ ions as well as of NeH+ proton transfer species, are selectively opened within angular cones exhibiting different orientation and acceptance.

A study on radiation shielding potentials of green and red clayey soils in Turkey reinforced with marble dust and waste tire

The increasing radiation applications in our daily life makes it essential to protect ourselves from the harms of radiation by using alternative, cheap and natural materials. The present study aimed to analyze the radiation shielding abilities of green and red clayey soils from Oltu/Erzurum in Turkey, reinforced with waste tires and marble dust. For the purpose to investigate the shielding features of the samples, radiation attenuation parameters were determined by using EpiXS software, which can calculate partial or total cross-sections, partial or total mass attenuation coefficients, electron densities, effective atomic numbers, and buildup factors for energy absorption and exposure between 1keV and 1GeV. We compared the obtained mass attenuation coefficients and total atomic cross-section values of the samples with those of a widely used shielding material, ordinary concrete, to make a meaningful evaluation about the shielding potentials of the samples. To validate obtained values by EpiXS, we also calculated the mass attenuation coefficients of the samples by XCOM code, and compatible results were obtained. Among all the studied clayey soil samples, green clay reinforced with marble dust and waste tire has the highest shielding capability. It can also be mentioned that reinforcement with marble dust and waste tire improves the shielding ability of the clayey soils.

Evaluation of electron ionization cross-sections of CFCl3 molecule by using a semi-empirical approach

In the present paper, we have investigated partial and total electron ionization cross-sections for CFCl3 molecule from ionization threshold to 5 keV incident electron energy using a modified Jain-Khare semi-empirical approach. The present results of ionization cross-sections show good agreement with available data sets. We also have investigated the ionization rate coefficients for its partial and total ionization cross-sections. The first time we have investigated single differential cross-sections at constant incident energies and double differential cross-sections at different incident energies and different incident angles. No other data of differential cross-sections are available to date for comparison to our results.

Calculated electron impact ionisation fragmentation patterns

There are many measurements and calculations of total electron impact ionisation cross sections. However, many applications, particularly in plasma physics, also require fragmentation patterns. Approximate methods of deducing partial cross sections are tested based on the use of total cross section computed within the well-used binary encounter Bethe approximation. Partial ionisation cross sections for three series of molecules including CH4, CF4 and CCl4; SiH4 and SiCl4; NH3 and PH3, were estimated using two methods. Method one is semi-empirical and uses mass spectroscopy data to fix the partial cross sections at a single electron energy. The second is a fully computational method proposed by Huber et al (2019 J. Chem. Phys. 150 024306). Comparisons with experimental results suggest that the mass spectroscopy method is more accurate. However, as Huber’s method requires no experimental input, this method could be used as a first approximation when no experimental data is available. As mass spectroscopy sometimes provides incomplete datasets, a hybrid method based on the use of both methods is also explored.

\u2009Prompt and delayed gamma rays induced by epithermal and fast neutrons with indium

The emission of prompt and delayed gamma rays from (n,γ) and (n,n´γ) reactions induced by irradiation of indium with epithermal and fast neutrons was investigated with the instrument FaNGaS operated at Heinz-Maier-Leibnitz Zentrum (MLZ) in Garching. The average neutron energy of the neutron spectrum was 2.30 MeV. The measurement was done at an angle of 90° between neutron beam and detector. A total of 136 prompt gamma lines from which 42 are related to the capture of epithermal and fast neutrons and 94 to the inelastic scattering of fast neutrons were detected together with the delayed gamma lines of the activation products 113mIn, 114m2In, 115mIn, 116m2In and 116mIn. Intensities and neutron spectrum averaged isotopic partial cross section of the gamma lines are presented. Additionally the neutron spectrum averaged cross sections of the reactions, 113In(n,n´)113mIn, 113In(n,γ)114m2In, 115In(n,n´)15mIn, 115In(n, γ)116m2In and 115In(n, γ)116mIn were determined from the corresponding delayed gamma rays of the formed isotopes as 143 ± 22, 288 ± 13 194 ± 18, 201 ± 10 and 508 ± 24 mb respectively. The various results obtained were found consistent with the literature data. However, our measurement indicate the need to reevaluate the cross section of the 115In(n,γ)116m2In reaction for thermal neutrons.

PHASE EQUILIBRIUM IN THE Sb2Te3-HoTe3 SYSTEM

The phase equilibrium of the Sb2Te3-HoTe3 system was studied by means of physical and chemical analysis methods DTA, RFA, MQA, as well as density and microhardness measurements, and its phase diagram was constructed. It has been determined that the Sb2Te3-HoTe3 system is a partial quasi-binary cross section of the ternary Bi-Ho-Te system. The system undergoes a process of eutectic equilibrium and peritectic transformation. In the Sb2Te3-HoTe3 system at room temperature, of the based Sb2Te3 solid solutions extend to 4.5 mol % and of the based HoTe3 solid solutions have practically not been established.

Photoionization from the Xe 4d orbitals of XeF2.

We present a comparison of the photoionization dynamics of the 4d shell of XeF2 from threshold to 250eV to those of the prototypical 4d shell of atomic Xe. The new experimental data include spin-orbit and ligand-field-resolved partial cross sections, photoelectron angular distributions, branching fractions, and lifetime widths for the 4d-hole states. The spin-orbit branching fractions and angular distributions are remarkably similar to the corresponding distributions from atomic Xe across a broad energy interval that includes both the intense shape resonance in the f continuum and a Cooper minimum in the same channel. The angular distributions and branching fractions are also in reasonably good agreement with our first-principles theoretical calculations on XeF2. Data are also presented on the lifetime widths of the substate-resolved 4d-hole states of XeF2. While the trends in the widths are similar to those in the earlier experimental and theoretical work, the linewidths are considerably smaller than in the previous measurements, which may require some reinterpretation of the decay mechanism. Finally, we present new data and an analysis of the Auger electron spectra for ionization above the 4d thresholds and resonant Auger spectra for several pre-edge features.

Fatigue durability of reinforced concrete bridge deck repair methods

In recent years, the aging of existing reinforced concrete deck slabs of road bridges in Japan has been attributed to the deterioration of the concrete on the upper surface, and partial replacements have been carried out as a measure to extend service life. This study comparatively verifies the effectiveness of the partial cross-section replacement method, using a wheel load running test and focusing on the combination of the removal method of the existing concrete and the repair material. An appropriate method of partial replacement of existing reinforced concrete deck slabs is also proposed.

Isomeric ratio of the 181Ta(γ, 3n)178m,gTa reaction products at energy E γmax up to 95 MeV

The photoneutron reaction was investigated with the beam from the NSC KIPT electron linear accelerator LUE-40. The measurements were performed using the residual γ-activity method. The bremsstrahlung flux-averaged cross-sections , , and the isomeric ratio of the reaction products were measured. The theoretical values of the averaged cross-sections and isomeric ratio were calculated using the partial cross-sections from the TALYS1.95 code for different level density models 1-6. The obtained experimental agree with the data in the literature, but differ from the theoretical values in absolute magnitude and the behavior of the energy dependence. A comparison of the determined averaged cross-sections with the calculated cross-sections showed the best agreement for the case of the 5 model.

A complex Gaussian approach to molecular photoionization.

We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbitals (cGTOs) are first obtained by nonlinear optimization, to best fit sets of Coulomb or distorted continuum wave functions for relevant orbital quantum numbers. This allows us to represent the radial wavefunction for the outgoing electron with accurate cGTO expansions. Within a time-independent partial wave approach, we show that all the necessary transition integrals become analytical, in both length and velocity gauges, thus facilitating the numerical evaluation of photoionization observables. Illustrative results, presented for NH3 and H2 O within a one-active-electron monocentric model, validate numerically the proposed strategy based on a complex Gaussian representation of continuum states.

Observation of nucleic acid and protein correlation in chromatin of HeLa nuclei using small-angle neutron scattering with D_{2}O-H_{2}O contrast variation.

The small-angle neutron scattering (SANS) on HeLa nuclei demonstrates the bifractal nature of the chromatin structural organization. The border line between two fractal structures is detected as a crossover point at Q_{c}≈4×10^{-2}nm^{-1} in the momentum transfer dependence Q^{-D}. The use of contrast variation (D_{2}O-H_{2}O) in SANS measurements reveals clear similarity in the large scale structural organizations of nucleic acids (NA) and proteins. Both NA and protein structures have a mass fractal arrangement with the fractal dimension of D≈2.5 at scales smaller than 150nm down to 20nm. Both NA and proteins show a logarithmic fractal behavior with D≈3 at scales larger than 150nm up to 6000nm. The combined analysis of the SANS and atomic force microscopy data allows one to conclude that chromatin and its constitutes (DNA and proteins) are characterized as soft, densely packed, logarithmic fractals on the large scale and as rigid, loosely packed, mass fractals on the smaller scale. The comparison of the partial cross sections from NA and proteins with one from chromatin as a whole demonstrates spatial correlation of two chromatin's components in the range up to 900nm. Thus chromatin in HeLa nuclei is built as the unified structure of the NA and proteins entwined through each other. Correlation between two components is lost upon scale increases toward 6000nm. The structural features at the large scale, probably, provide nuclei with the flexibility and chromatin-free space to build supercorrelations on the distance of 10^{3} nm resembling cycle cell activity, such as an appearance of nucleoli and a DNA replication.