Relative intensities for Li (i = 1-3) and Mi (i = 1-5) subshell X-rays

The intensities for L_i (i = 1-3) subshell X-ray lines have been computed relative to the most intense line in each series, for elements with 30 ? Z ? 92, from published X-ray emission rates based on the Dirac-Fock (DF) model. In the case of M_i (i = 1-5) subshell X-ray lines, complete sets of emission rates based on both the Dirac-Hartree-Slater and the DF models have been generated for elements with 65 ? Z ? 92 by logarithmic interpolation of the data available for a limited number of elements. The intensities for different M X-ray lines have been computed relative to the most intense line in each series using these two sets of emission rates. The L_i (i = 1-3) and M_i (i = 1-5) subshell X-ray relative intensities computed from the DF model based emission rates have been least-squares-fitted to polynomials in the atomic number for use in software packages for quantitative elemental analysis using X-ray emission techniques and for other applications.     

Li (i = 1-3) subshell X-ray production cross sections and fluorescence yields for some elements with 56 ? Z ? 68 at 22.6 keV

The L_k (k = l, α, β_1,4, β_3,6, β_2,15,9,10,7, γ_1,5 and γ_2,3,4) X-ray production (XRP) cross sections have been measured for six elements with 56 ? Z ? 68 at 22.6 keV incident photon energy using the EDXRF spectrometer. The incident photon intensity, detector efficiency and geometrical factors have been determined from the K X-ray yields emitted from elemental targets with 22 ? Z ? 42 in the same geometrical setup and from knowledge of the K XRP cross sections. The L₁ and L₂ subshell fluorescence yields have been deduced from the present measured L_k XRP cross sections using the relativistic Hartree-Fock-Slater (HFS) model based photoionization cross sections. The present deduced ω₁ (exp) values have been found to be, on an average, higher by 15% and 20% than those based on the Dirac-Hartree-Slater (DHS) model and the semi-empirical values compiled by Krause, respectively, for elements with 60 ? Z ? 68.     

Mi (i = 1-5) subshell fluorescence and Coster-Kronig yields for elements with 67 ? Z ? 92

A complete set of the M_i (i = 1-5) subshell fluorescence and Coster-Kronig (CK) yields has been generated by interpolation for elements with 67 ? Z ? 92 from the Dirac-Hartree-Slater (DHS) model based values tabulated for a limited number of elements, considering the cutoff/onset of different CK transitions in accordance with the CK transition energies evaluated in the present work. The CK transition energies have been deduced from tabulated values of the Dirac-Hartree-Fock-Slater model based neutral atom binding energies [K. Huang, M. Aoyagi, M.H. Chen, B. Crasemann, H. Mark, At. Data Nucl. Data Tables 18 (1976) 243] and the L_i (i = 1-3) subshell CK transition energies [M.H. Chen, B. Crasemann, K. Huang, M. Aoyagi, H. Mark, At. Data Nucl. Data Tables 19 (1977) 97] in order to establish the cutoff/onset of different CK transitions at specific atomic numbers. A second set of the M_i (i = 1-5) subshell fluorescence yields have also been deduced using radiative widths computed from the Dirac-Fock (DF) model based X-ray emission rates, and the total widths reevaluated to incorporate the DF model based radiative widths in place of those based on the DHS model. Further, the CK-corrected (ν_i) and average fluorescence (?_M) fields, which are experimentally important, have been evaluated from the generated set of CK yields and two sets of fluorescence yields.     

L1 and L2 sub-shell fluorescence yields for elements with 64 ? Z ? 70

The L₁ and L₂ sub-shell fluorescence yields have been deduced for elements with 64 ? Z ? 70 from the L_k(k = l, α, β_1,4, β_3,6, β_2,15,9,10,7, γ_1,5 and γ_2,3,4) X-ray production cross sections measured at 22.6 keV incident photon energy using a spectrometer involving a disc type radioisotope of Cd¹⁰⁹ as a photon source and a Peltier cooled X-ray detector. The incident photon intensity, detector efficiency and geometrical factor have been determined from the K X-ray yields emitted from elemental targets with 20 ? Z ? 42 in the same geometrical setup and from knowledge of the K shell cross sections. The present deduced ω₁(exp) values, for elements with 64 ? Z ? 70, are found to be in good agreement with those tabulated by Campbell (J.L. Campbell, Atom. Data Nucl. Data Tables 95 (2009) 115), where as these are, on an average, higher by 19% and 24% than those based on the Dirac-Hartree-Slater model (S. Puri et al., X-ray Spectrometry 22 (1993) 358) and the semi-empirical values compiled by Krause (M.O. Krause, J. Phys. Chem. Ref. Data 8 (1979) 307), respectively. The present deduced ω₂(exp) values are found to be in good agreement with those based on the Dirac-Hartree-Slater model and are higher by up to ∼13% than the semi-empirical values for the elements under investigation.     

Measurement of L X-ray fluorescence cross-sections for elements with 45 ? Z ? 50 using synchrotron radiation at 8 keV

The L shell fluorescence cross-sections of the elements in range 45 ? Z ? 50 have been determined at 8 keV using Synchrotron radiation. The individual L X-ray photons, Ll, Lα, Lβ_I, Lβ_II, Lγ_I and Lγ_II produced in the target were measured with high resolution Si(Li) detector. The experimental set-up provided a low background by using linearly polarized monoenergetic photon beam, improving the signal-to-noise ratio. The experimental cross-sections obtained in this work were compared with available experimental data from Scofield [1] and [2] Krause [3] and [4] and Scofield and Puri et al. [5] and [6].These experimental values closely agree with the theoretical values calculated using Scofield and Krause data, except for the case of Lγ, where values measured of this work are slighter higher.     

Contribution of near-edge processes to attenuation of the characteristic X-rays in elements with 48 ≤ Z ≤ 83

Attenuation of the characteristic K X-rays in the ₄₈Cd, ₅₀Sn, ₅₂Te, ₆₄Gd, ₆₅Tb, ₆₆Dy, ₆₈Er, ₇₄Ta, ₇₅Re, ₇₉Au, ₈₂Pb and ₈₃Bi elements have been measured with especial emphasis for the X-ray energies (E_in) in the region of respective K-shell/L_i subshell (i = 1, 2, 3) ionization threshold (B_K/B_Li). The characteristic X-rays were obtained from different fluorescent target elements excited by the X-rays and γ-rays emitted from the ⁵⁵Fe and ²⁴¹Am radioisotopes, respectively. The measurements were performed using an energy-dispersive detection set up involving a low-energy Ge detector. The measured attenuation coefficients for the X-rays with energies away from ionization thresholds of the attenuator element are found to be in good agreement with the available theoretical coefficients, which incorporate contributions of the photoionization, and the Rayleigh and Compton scattering processes. However, the measured attenuation coefficients are found to deviate significantly from the theoretical values for the X-rays with energies in vicinity of B_K/Li. The observed alteration is attributed to the X-ray Absorption Fine Structure (XAFS) for negative B_K/Li − E_in values, and the K-shell/L_i subshell resonant Raman scattering (RRS) process for positive B_K/Li − E_in values. Systematic of the K-shell/L_i subshell RRS contribution to attenuation of the X-rays are discussed in terms of the respective oscillator density and fraction of electrons available in the K-shell/L_i subshell Lorentzian profile of the attenuation element below E_in.     

Energy shifts of L x-rays from 70 ⩽ Z ⩽ 90 elements due to multiple M vacancies

The transition energies of L x-rays for states with 0–11 M-shell spectator vacancies are calculated by using a Dirac-Fock computer program. The calculations are done for seven elements with atomic numbers in the 70 ⩽ Z ⩽ 90 range. In each of these elements, the transition energies of 10 L x-rays (L_l, L_α2, L_α1, L_η, L_β1, L_γ1, L_γ2, L_γ3, L_γ4′, L_γ4) are calculated as differences of average-of-configuration energies. The energy shifts of these x-rays for various multiple M vacancy states are deduced from the transition energies and plotted as a function of atomic number.     

Dependence of cluster ranges on target cohesive energy: Molecular-dynamics study of energetic Au402 cluster impacts

It has long been known that the stopping and ranges of atoms and clusters depends on the projectile-target atom mass ratio. Recently, Carroll et al. [S.J. Carroll, P.D. Nellist, R.E. Palmer, S. Hobday, R. Smith, Phys. Rev. Lett. 84 (2000) 2654] proposed that the stopping of clusters also depends on the cohesive energy of the target. We investigate this dependence using a series of molecular-dynamics simulations, in which we systematically change the target cohesive energy, while keeping all other parameters fixed. We focus on the specific case of Au₄₀₂ cluster impact on van-der-Waals bonded targets. As target, we employ Lennard-Jones materials based on the parameters of Ar, but for which we vary the cohesive energy artificially up to a factor of 20. We show that for small impact energies, E₀ ? 100 eV/atom, the range D depends on the target cohesive energy U, D ∝ U^−β. The exponent β increases with decreasing projectile energy and assumes values up to β = 0.25 for E₀ = 10 eV/atom. For higher impact energies, the cluster range becomes independent of the target cohesive energy. These results have their origin in the so-called ‘clearing-the way’ effect of the heavy Au₄₀₂ cluster; this effect is strongly reduced for E₀ ? 100 eV/atom when projectile fragmentation sets in, and the fragments are stopped independently of each other. These results are relevant for studies of cluster stopping and ranges in soft matter.     

New local model for electronic energy loss and its application to computer simulations of channeling

We used the average of the Thomas-Fermi (TF) electron distribution instead of that of Hartree-Fock (HF) electron distribution as the screening length of an isolated atom. Based on the Firsov theory, we proposed a new Firsov formula of the electronic energy loss which has a simple form ΔE_e(E, b) ∞ S_e(E) exp(γb)/(1 + βb)⁶, where S_e(E) is the electronic stopping cross section, b = p/a, p and a are the impact parameter and the screening length, respectively, and β and γ are the fitting parameters. Using the present screening lengths with the shell effect and the new Firsov formula, the depth distributions of channeling were simulated by the ACOCT code for 20 keV B⁺ ions impinging along the [1 1 0] channel direction of silicon (1 1 0) surface. The ACOCT depth profiles of channeling using the new Firsov (solid) local model for the AMLJ potential are in good agreement with the experimental ones.     

Computer simulation of primary damage creation in displacement cascades in copper. I. Defect creation and cluster statistics

Atomic-scale computer simulation has been used to investigate the primary damage created by displacement cascades in copper over a wide range of temperature (100 K ? T ? 900 K) and primary knock-on atom energy (5 keV ? E_PKA ? 25 keV). A technique was introduced to improve computational efficiency and at least 20 cascades for each (E_PKA, T) pair were simulated in order to provide statistical reliability of the results. The total of almost 450 simulated cascades is the largest yet reported for this metal. The mean number of surviving point defects per cascade is only 15-20% of the NRT model value. It decreases with increasing T at fixed E_PKA and is proportional to (E_PKA)^1.1 at fixed T. A high proportion (60-80%) of self-interstitial atoms (SIAs) form clusters during the cascade process. The proportion of clustered vacancies is smaller and sensitive to T, falling from 30% to 60% for T ? 600 K to less than 20% when T = 900 K. The structure of clusters has been examined in detail. Vacancies cluster predominantly in stacking-fault-tetrahedron-type configurations. SIAs tend to form either glissile dislocation loops with Burgers vector b = 1/2<1 1 0> or sessile faulted Frank loops with b = 1/3<1 1 1>. Despite the fact that cascades at a given E_PKA and T exhibit a wide range of defect numbers and clustered fractions, there appears to be a correlation in the formation of vacancy clusters and SIA clusters in the same cascade. The size and spatial aspects of this are analysed in detail in part II [unpublished], where the stability of clusters when another cascade overlaps them is also investigated.     

Proton elastic scattering and proton induced γ-ray emission cross-sections on Na from 2 to 5 MeV

Differential cross-sections for proton elastic scattering on sodium and for γ-ray emission from the reactions ²³Na(p,p′γ)²³Na (E_γ = 440 keV and E_γ = 1636 keV) and ²³Na(p,α′γ)²⁰Ne (E_γ = 1634 keV) were measured for proton energies from 2.2 to 5.2 MeV using a 63 μg/cm² NaBr target evaporated on a self-supporting thin C film.The γ-rays were detected by a 38% relative efficiency Ge detector placed at an angle of 135° with respect to the beam direction, while the backscattered protons were collected by a Si surface barrier detector placed at a scattering angle of 150°. Absolute differential cross-sections were obtained with an overall uncertainty estimated to be better than ±6.0% for elastic scattering and ±12% for γ-ray emission, at all the beam energies.To provide a convincing test of the overall validity of the measured elastic scattering cross-section, thick target benchmark experiments at several proton energies are presented.     

Measurement of thermal neutron cross-sections and resonance integrals for Hf(n,γ)Hf and Hf(n,γ)Hf reactions at the Pohang neutron facility

The thermal-neutron cross-sections and the resonance integrals for the ¹⁷⁹Hf(n,γ)^180mHf and the ¹⁸⁰Hf(n,γ)¹⁸¹Hf reactions have been measured by the activation method. The high purity Hf and Au metallic foils within and without a Cd shield case were irradiated in a neutron field of the Pohang neutron facility. The gamma-ray spectra from the activated foils were measured with a calibrated p-type high-purity Ge detector.In the experimental procedure, the thermal neutron cross-sections, σ₀, and resonance integrals, I₀, for the ¹⁷⁹Hf(n,γ)^180mHf and the ¹⁸⁰Hf(n,γ)¹⁸¹Hf reactions have been determined relative to the reference values of the ¹⁹⁷Au(n,γ)¹⁹⁸Au reaction, with σ₀ = 98.65 ± 0.09 barn and I₀ = 1550 ± 28 barn. In order to improve the accuracy of the experimental results, the interfering reactions and necessary correction factors were taken into account in the determinations. The obtained thermal neutron cross-sections and resonance integrals were σ₀ = 0.424 ± 0.018 barn and I₀ = 6.35 ± 0.45 barn for the ¹⁷⁹Hf(n,γ)^180mHf reaction, and σ₀ = 12.87 ± 0.52 barn and I₀ = 32.91 ± 2.38 barn for the ¹⁸⁰Hf(n,γ)¹⁸¹Hf reaction. The present results are in good agreement with recent measurements.     

Alkali ion scattering from Ag(0 0 1) and Ag thin films at low and hyperthermal energies

We have investigated the scattering of K⁺ and Cs⁺ ions from a single crystal Ag(0 0 1) surface and from a Ag-Si(1 0 0) Schottky diode structure. For the K⁺ ions, incident energies of 25 eV to 1 keV were used to obtain energy-resolved spectra of scattered ions at θ_i = θ_f = 45°. These results are compared to the classical trajectory simulation safari and show features indicative of light atom-surface scattering where sequential binary collisions can describe the observed energy loss spectra. Energy-resolved spectra obtained for Cs⁺ ions at incident energies of 75 eV and 200 eV also show features consistent with binary collisions. However, for this heavy atom-surface scattering system, the dominant trajectory type involves at least two surface atoms, as large angular deflections are not classically allowed for any single scattering event. In addition, a significant deviation from the classical double-collision prediction is observed for incident energies around 100 eV, and molecular dynamics studies are proposed to investigate the role of collective lattice effects. Data are also presented for the scattering of K⁺ ions from a Schottky diode structure, which is a prototype device for the development of active targets to probe energy loss at a surface.     

Electron impact excitation of the 6s S1/2 state of In atom at small scattering angles

We measured the differential cross sections (DCSs) for the electron-impact excitation of the resonance transition 5p²P_1/2-6s²S_1/2 of In atom at small scattering angles using a crossed electron-atom beam technique. The incident electron energies were E₀ = 10, 20, 40, 60, 80 and 100 eV, while the small scattering angles ranged from 1° to 10° in steps of 1°. The forward scattering function method has been used for normalizing the generalized oscillator strengths (GOS) to the known optical oscillator strength and obtaining the absolute DCS values.     

Proton induced γ-ray emission yields for the analysis of light elements in aerosol samples in an external beam set-up

The PIXE technique is a reliable tool for the characterisation of thin aerosol samples, but it can underestimate the lightest measurable elements, like Na, Mg, Al, Si and P, owing to the absorption of their X-rays inside the sample. The PIGE technique is a valid help to determine corrections for such effect: in order to perform PIGE measurements relative to thin reference standards in an external beam set-up, we measured, at the external beam facility of the Tandetron accelerator of the LABEC laboratory in Florence, the γ-ray yields as a function of the proton beam energy for the reactions ¹⁹F(p,p′γ)¹⁹F (E_γ = 110 and 197 keV), ²³Na(p,p′γ)²³Na (E_γ = 440 keV) and ²⁷Al(p,p′γ)²⁷Al (E_γ = 843 and 1013 keV), in the proton energy range from 3 to 5 MeV. The measured yields are shown, and the determined most suitable energies for performing PIGE quantification of Na and Al are reported, together with the corresponding minimum detection limits (MDLs). The results of some test on PIGE accuracy and an evaluation of self-absorption effects in PIXE measurements on thin aerosol samples are also presented.     

Monte Carlo study of photoneutron production in U-235 following perturbations in cross section data

Active photon interrogation systems may be employed to detect high-Z isotopes without significant spontaneous fission emissions. These systems induce photonuclear reactions with emissions (such as fission neutrons) that may be detected. However, there are inconsistencies in the literature reporting resonance photonuclear interaction data for many isotopes. Recent publications show variations as large as 20% between various measurements of photonuclear cross section data. A perturbation methodology utilizing the modular nature of the MCNPX/MCNP-PoliMi code system has been implemented and is applied here to highly-enriched uranium. Monoenergetic photon sources between 8 and 18 MeV were simulated; neutron detection was performed using the MCNP-PoliMi liquid scintillator model. At photon energies less than 12 MeV, the number of detected neutrons is approximately 70% sensitive to changes in the (γ, f) cross section and 30% sensitive to changes in the (γ, n) cross section. As gamma-ray energy increases the (γ, f) sensitivity increases and the (γ, n) sensitivity decreases. There is a small (γ, 2n) sensitivity at photon energies between 15 and 17 MeV. The ability of modern simulation tools to predict photonuclear responses is greatly limited in this energy region due to the high sensitivity of the simulated results to observed discrepancies in photonuclear cross section data.     

Emission statistics of X-ray induced photoelectrons and its comparison with electron- and ion-induced electron emissions

The emission statistics of secondary electrons from a gold metal surface induced by monochromatic X-rays is studied by Monte Carlo simulations. The number distributions of emitted electrons n and their mean values γ are calculated systematically for incident photon energies from 1 to 100 keV. The results are compared with recent experimental results measured at the SPring-8 X-ray beam facility (BL15XU). We found that both theoretical and experimental results of the statistical number distributions of secondary electrons can be reproduced fairly well by Polya-type functions, showing small probabilities for one-electron emission (n = 1) and broad distributions for high-n emission. In contrast, these features can never be reproduced by Poisson statistics. Furthermore, calculated emission yields γ are found to depend rather weakly on the incident X-ray energy. These results indicate clearly that fast photoelectrons produced by high-energy X-rays are responsible for high-n emission although the photoionization cross sections are considerably smaller at higher X-ray energies. Simulations are also extended to electron and ion bombardments, and a comprehensive comparison between X-rays and charged particle impacts is given for the emission statistics of electrons from a metal surface.     

Molybdenum L-shell X-ray production by 350-600 keV Xe (q = 25-30) ions

Molybdenum L-shell X-rays were produced by Xe^q+ (q = 25-30) bombardment at low energies from 2.65 to 4.55 keV/amu (350-600 keV). We observed a kinetic energy threshold of Mo L-shell ionization down to 2.65-3.03 keV/amu (350-400 keV). The charge state effect of the incident ions was not observed which shows that the ions were neutralized, reaching an equilibrium charge state and losing their initial charge state memory before production of L-shell vacancies resulted in X-ray production. The experimental ionization cross sections were compared with those from Binary Encounter Approximation theory. Taking into account projectile deflection in the target nuclear Coulomb field, the ionization cross section of Mo L-shell near the kinetic energy threshold was well described.     

Measurements of Lα, Lβ X-ray production cross sections of Bi by 17-40 keV electron impact

We present results of measurements of L_α, L_β X-ray production cross sections for the element Bi (Z = 83) by 17-40 keV electron impact. The target used in the experiment was prepared by evaporating the element Bi to the thick pure carbon substrate. The effects of multiple scattering of electrons when penetrating the target film, of electrons reflected from the thick pure carbon substrate and of bremsstrahlung photons produced by the impact of incident electrons on the target are corrected by means of Monte Carlo simulation. The experimental data, reported here for the first time in the energy region of 17-40 keV, are compared with the DWBA theory and the PWBA-C-Ex theory. They are in good agreement.