北航沙河校区土壤中40 K、238 U、232 Th相对含量的实验测量

环境中天然伽马射线主要来源于40K以及钍系、铀系和锕系.通过探测伽马射线来识别放射性核素并得到它们的相对含量,是核科学与核技术中的一个重要方法.利用高分辨的高纯锗探测器,北航以及国内部分高校已开设了鉴别环境中放射性核素的实验.在此基础上,本文进一步利用特征γ射线与递次衰变规律,对北航沙河校区土壤中的40 K、238 U...     

Measurement of radionuclides and absorbed dose rates in soil samples of Peshawar,Pakistan, using gamma ray spectrometry

The analysis of gamma-emitting radionuclides in nature, i.e. ²²⁶Ra, ²³²Th, ⁴⁰K and ¹³⁷Cs, has been carried out in soil samples collected from Peshawar University Campus and surrounding areas using a high purity germanium detector coupled with a computer-based high-resolution multichannel analyser. The activity concentrations in soil ranged from 30.20±0.65 to 61.90±0.95, 50.10±0.54 to 102.80±1.04, 373.60±4.56 to 1082±11.38 and 9.50±0.11 to 46.60±0.42 Bq kg^?1 for ²²⁶Ra, ²³²Th, ⁴⁰K and ¹³⁷Cs, with a mean value of 45±7.70, 67±12.50, 878±180 and 19±9.20 Bq kg^?1, respectively. The radium equivalent activity, internal and external hazard indices have mean values of 203.40±29.40 Bq kg^?1, 0.56 and 0.68, respectively. The mean values of outdoor and indoor absorbed dose rates in air and the annual effective dose equivalents were found to be 106.50 and 128 nGy h^?1 and 0.19 and 0.54 mSv y^?1, respectively. In the present study, ⁴⁰K was the major radionuclide present in soil samples. The presence of ¹³⁷Cs indicates that this area also received some fallout from the nuclear accident of the Chernobyl power plant in 1986. The activity concentrations of radionuclides found in soil samples during the current investigation were nominal. Therefore, they are not associated with any potential source of health hazard to the public.     

The influence of the nature of soil and plant and pollution on the 238U, 232Th, 222Rn and 220Rn concentrations in various natural honey samples using nuclear track detectors: Impact on the adult consumers

²³⁸U and ²³²Th concentrations as well as ²²²Rn and ²²⁰Rn α-activities per unit volume were measured in various natural honey samples collected from different regions in Morocco using CR-39 and LR-115 type II solid state nuclear track detectors (SSNTDs). These radionuclides were also measured in soils, plant flowers and nectar solutions corresponding to the honey samples studied. In addition, these radionuclides were measured in different imported honey samples. The measured ²³⁸U, ²³²Th, ²²²Rn and ²²⁰Rn concentrations ranged from (1.5±0.1) mBq kg⁻¹ to (10.6±0.6) mBq kg⁻¹, (1.1±0.1) mBq kg⁻¹ to (4.2±0.2) mBq kg⁻¹, (1.5±0.1) Bq kg⁻¹ to (10.6±0.6) Bq kg⁻¹ and (1.1±0.1) Bq kg⁻¹ to (4.2±0.2) Bq kg⁻¹ for the honey samples studied, respectively. Annual ²³⁸U, ²³²Th and ²²²Rn intakes by Moroccan adults from the consumption of honey were assessed. The influence of the nature of soil and plant on the ²³⁸U and ²³²Th contents of the studied honey samples was investigated. These measurements were completed by an investigation of the ²³⁸U and ²³²Th transfer between soils and plant flowers and that between plant flowers and honey, and also by the investigation of the influence of pollution due to different material dusts on ²³⁸U, ²³²Th and ²²²Rn in the honey samples studied. Committed equivalent doses due to the annual intake of ²³⁸U, ²³²Th and ²²²Rn were evaluated in the organs of adult members of the Moroccan rural population from the ingestion of the honey samples. The maximum total committed effective dose due to ²³⁸U, ²³²Th and ²²²Rn from the ingestion of natural honey by the Moroccan rural population was found to be equal to 0.64 μ Sv y⁻¹.     

Calculation of the elastic scattering properties for cold and ultracold 39K atoms in a triplet state

The elastic scattering properties for collisions between cold and ultracold 39K atoms in a triplet state are investigated. Based on the recent theoretical and experimental results, the improved hybrid potential is presented for a triplet α3∑u^＋ ground state of K2. Our calculated value of the s-wave scattering length a by using the Numerov method for the triplet state is 79.578α0 and found to be in good agreement with the previous ones. The numbers of bound states are supported by the molecular potential. Pronounced shape resonances appear for the l = 3 partial waves for the α3∑u^＋ state. Furthermore, the s-wave scattering cross section, the total cross section and energy positions of shape resonances for the α3∑u^＋ state are calculated.     

Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）

The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturbation theory （SO-MCQDPT）. Their Murrell-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are v[O2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and v[O2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.     

Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)4- coordination complex in MCl:V2+ (M=Na, K, Rb) systems

By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120×120 complete energy matrix, this paper determines the local lattice structure parameters R1 and R2 for MCl:V2+ (M=Na, K, Rb) systems at 77 K, 195 K and RT (room temperature 295 K or 302 K), respectively. The theoretical results indicate that there exists a compressed distortion in MCl:V2+ systems. Meanwhile, it finds that the structure parameters R1, R2 and |△R| (= R1-R2) increase with the rising temperature. Subsequently, from the analysis it concludes that the relation of EPR parameter D vs.△R is approximately linear. Finally, the effects of orbital reduction factor k on the g factors for the three systems have been discussed.     

Studies of the spin-Hamiltonian parameters, d–d transitions and defect structures for two tetragonal Cu centers in Ba2ZnF6:Cu crystal

Two theoretical methods, the perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM), are applied to calculate the spin-Hamiltonian parameters (g-factors g, g and hyperfine structure constants A, A, obtained from electron paramagnetic resonance (EPR) spectra) and d–d transitions (obtained from optical spectra) for two tetragonal Cu²⁺ centers in Ba₂ZnF₆:Cu²⁺ crystals. The Cu²⁺(I) ion replaces the Zn²⁺ ion at tetragonally compressed octahedral coordination and has the ground state ²A₁(|d_z²), whereas the Cu²⁺(II) ion is at an interstitial site with a square-planar F⁻coordination and has the ground state ²B₂(|d_x²-y²). The calculated spin-Hamiltonian parameters and d–d transitions from the PTM and CDM coincide and are in reasonable agreement with the experimental values. This suggests that both methods are effective for the theoretical studies of EPR and optical spectral data for 3d⁹ ions in tetragonal symmetry with different ground states. The defect structures of the two Cu²⁺ centers in Ba₂ZnF₆:Cu²⁺ are also estimated.     

Studies of the optical spectrum band positions and spin-Hamiltonian parameters for Pa ion in ThX4 (X=Cl, Br) crystals

The optical spectrum band positions and spin-Hamiltonian (SH) parameters (g factors g_∥ and g_⊥ and hyperfine structure constants A_∥ and A_⊥) for 5f¹ ion Pa⁴⁺ at the tetragonal Th⁴⁺ site of ThX₄ (X=Cl, Br) crystals are calculated from a complete diagonalization (of energy matrix) method (CDM). In the CDM, the magnetic (or Zeeman) interaction and hyperfine interaction terms are added to the Hamiltonian in the conventional CDM and so the optical and EPR spectra data can be studied in a unified way. The calculated results are in reasonable agreement with experimental values. The possible misprints or small errors in the experimental g factors for Pa⁴⁺ in ThX₄ crystals are pointed out. The results are discussed.     

Performance parameters and uncertainty of the method for assessment of Sr concentration in small powder samples using α-Al2O3:C beta detectors

Non-destructive detection of very low concentrations of ⁹⁰Sr (about 0.4 Bq g⁻¹) inside powdered samples with masses below 200 mg (such as tooth enamel prepared for EPR measurements) is not a trivial task. Most of the conventional measurement techniques require a special chemical treatment or an enrichment process. Thin-layer α-Al₂O₃:C passive luminescence beta detectors have been successfully used for measuring dose rates due to beta decay of ⁹⁰Sr inside small samples. In this paper, a new refinement is introduced for the assessment of ⁹⁰Sr concentration in dental tissue using thin-layer α-Al₂O₃:C passive luminescence beta detectors. The performance parameters of passive luminescence beta detection (such as detection and quantification limits) have been evaluated using statistical analysis of the experimental results. The sources of uncertainty have been analyzed and the total uncertainty calculated using Monte Carlo simulations. The results of TL passive beta detection for measurement of ⁹⁰Sr concentrations are shown to be in good agreement with those obtained using low-level beta counting.     

Construction of modified embedded atom method potentials for Cu, Pt and Cu-Pt and modelling surface segregation in Cu3Pt alloys

In this work, surface segregation to Cu₃Pt surfaces is studied with the modified embedded atom method (MEAM). This work is triggered by the catalytic importance of Cu-Pt alloys, together with the contradictory experimental results for the surface segregation in Cu₃Pt(1 1 1) alloys based on low energy ion scattering (LEIS) [Y.G. Shen, D.J. O’Connor, K. Wandelt, R.J. MacDonald, Surf. Sci. 328 (1995) 21] and low energy electron diffraction (LEED) [Y. Gauthier, A. Senhaji, B. Legrand, G. Tréglia, C. Becker, K. Wandelt, Surf. Sci. 527 (2003) 71]. In order to accurately describe the segregation behaviour in the Cu₃Pt system, a reliable potential, that is also applicable to surface phenomena, is indispensable. Therefore, first, new MEAM parameters are derived, consistently based on ab initio density functional theory (DFT) calculations, according to a method that is a modification of previous work [P. van Beurden, G.J. Kramer, Phys. Rev. B 63 (2001) 165106]. Upon testing, these parameters prove to reproduce very well various surface properties of this system. Next, Monte Carlo (MC) simulations combined with the newly derived MEAM potentials are set up to investigate surface segregation to low index single crystal surfaces. For the Cu₃Pt(1 1 1) surface, our MC/MEAM simulations agree completely with the available LEIS evidence and contradict the unusual depth profile based on LEED. However, the slight Pt enrichment observed in the LEED experiments can be reproduced by assuming a slight Pt excess in the bulk of the sample. The simulated composition depth profile, on the other hand, does not agree with the LEED evidence. Also, for the Cu₃Pt(1 0 0) surface, the MC/MEAM results agree completely with LEIS experiments. For the Cu₃Pt(1 1 0) surface, finally, the MC/MEAM simulations show a somewhat deviating behaviour with respect to the experimental LEIS evidence. The possibility of a missing-row reconstruction is evaluated, but cannot explain the discrepancy for the Cu₃Pt(1 1 0) system. In order to further investigate the deviation from the experiments, additional DFT and MEAM calculations are performed in search of the preferred surface termination for Cu₃Pt(1 1 0). Both DFT and MEAM calculations agree on the pure Cu layer as the most stable surface termination. Although the experiment was extensively tested for reproducibility, it possibly reflects a metastable state. Finally, in view of the importance of small and less orderly particles in catalysis, the newly derived MEAM parameters are used in order to study the segregation to Cu₃Pt vicinal surfaces with {1 1 1} terraces, for which no experimental information is available yet.     

Analysis of prompt fission neutron spectrum and multiplicity for 237Np（n,f） in the frame of multi-modal Los Alamos model

The improved version of Los Alamos model with the multi-modal fission approach is used to analyse the prompt fission neutron spectrum and multiplicity for the neutron-induced fission of 237Np. The spectra of neutrons emitted from fragments for the three most dominant fission modes (standard Ⅰ, standard Ⅱ and superlong) are calculated separately and the total spectrum is synthesized. The multi-modal parameters contained in the spectrum model are determined on the basis of experimental data of fission fragment mass distributions. The calculated total prompt fission neutron spectrum and multiplicity are better agreement with the experimental data than those obtained from the conventional treatment of the Los Alamos model.     

Investigations of the spin-Hamiltonian parameters and defect structures for Gd ions in YMO4 (M=V, P, As) crystals

A 56×56 energy matrix containing the ground multiplet ⁸S_7/2 and the excited multiplets ⁶L_7/2 (where L=P, D, F, G, H, I) for 4f⁷ ion Gd³⁺ at a tetragonal crystal field and under an external magnetic field is constructed. By diagonalizing the energy matrix, the spin-Hamiltonian parameters (g factors g_‖, g_⊥ and zero-field splittings b₂⁰, b₄⁰, b₄⁴, b₆⁰, b₆⁴) for Gd³⁺ ion at the tetragonal Y³⁺ site of YMO₄ (M=V, P, As) crystals are calculated. The calculated results are in reasonable agreement with the experimental values. The defect structures of Gd³⁺ centers in YMO₄ crystals are estimated from the calculation. The results are discussed.     

Theoretical studies of the optical and EPR spectra for Fe ion in the MF3:Fe (M=Al, Ga) systems

By analyzing the EPR spectra of Fe³⁺ ion in the fluorinde glasses, the local lattice structures around impurity Fe³⁺ ion in MF₃:Fe³⁺ (M=Al, Ga) systems have been studied by means of diagonalizing the complete energy matrices of the electron-electron repulsion, the ligand-field and the spin-orbit coupling for a d⁵ configuration ion in a trigonal ligand-field. Both the second-order and fourth-order EPR parameters D and (a−F) are taken simultaneously in the structural investigation. The results indicate that the local lattice structure around octahedral Fe³⁺ center has an expansion distortion for Fe³⁺ in MF₃:Fe³⁺ (M=Al, Ga). The expansion distortion may be ascribed to the fact that the radius of Fe³⁺ ion is larger than that of Al³⁺ ion and Ga³⁺ ion, and the Fe³⁺ ion will push the fluoride ligands upwards and downwards, respectively. The local lattice structure parameters R=1.927 A, θ=55.538° for Fe³⁺ in AlF₃:Fe³⁺ and R=1.931 A, θ=56.09° for Fe³⁺ in GaF₃:Fe³⁺ are determined, respectively, and the EPR spectra of the MF₃:Fe³⁺ (M=Al, Ga) systems are satisfactorily explained.