Projected shell model description for high-spin states in neutron-rich Fe isotopes

A systematic study of neutron-rich even-even Fe isotopes with a neutron number from 32 to 42 is carried out by using the projected shell model. Calculations are performed up to the spin I=20 state. Irregularities found in the yrast spectra and in B (E2) values are discussed in terms of neutron excitations to the high-j orbital g(9/2). Furthermore, the neutron two-quasiparticle structure of a low-K negative-parity band and the proton two-quasiparticle structure of a high-K positive-parity band are predicted to exist near the yrast region. Our study reveals a soft nature for the ground state of N approximate to 40 isotopes and emphasizes the important role of the neutron g(9/2) orbital in determining the structure properties for both low- and high-spin states in these nuclei.

Shell model study of single-particle and collective structure in neutron-rich Cr isotopes

The structure of neutron-rich Cr isotopes is systematically investigated by using the spherical shell model. The calculations reproduce well the known energy levels for the even-even Cr52-62 and odd-mass Cr53-59 nuclei, and predict a lowering of excitation energies around neutron number N = 40. The calculated B(E2; 2(1)(+) -> 0(1)(+)) systematics shows a pronounced collectivity around N = 40; a similar characteristic behavior has been suggested for Zn and Ge isotopes. Causes for the sudden drop of the 9/2(1)(+) energy in Cr-59 and the appearance of very low 0(2)(+) states around N = 40 are discussed. We also predict a new band with strong collectivity built on the 0(2)(+) state in the N = 40 isotope Cr-64.

Melting of Au and Al in nanometer Fe/Au and Fe/Al multilayers under swift heavy ions: A thermal spike study

Knowing that Fe is sensitive to swift heavy ion irradiations whereas Au and Al are not, the behavior of nanometric metallic multilayer systems, like [Fe(3 nm)/Au(x)](y) and [Fe(3 nm)/Al(x)](y) with x ranging between 1 and 10 mn, were studied within the inelastic thermal spike model. In addition to the usual cylindrical geometry of energy dissipation perpendicular to the ion projectile direction, the heat transport along the ion path was implemented in the electronic and atomic sub-systems. The simulations were performed using three different values of linear energy transfer corresponding to 3 MeV/u of Pb-208, Xe-132 and Kr-84 ions. For the Fe/Au system, evidence of appearance of a molten phase was found in the entire Au layer, provided the Au thickness is less than 7 nm and 3 nm for Pb and Xe ions, respectively. For the Fe/Al(x) system irradiated with Pb ions, the Al layers with a thickness less than 4 nm melt along the entire ion track. Surprisingly, the Fe layer does not melt if the Al thickness is larger than 2 nm, although the deposited energy surpasses the electronic stopping power threshold of track formation in Fe. For Kr ions melting does not occur in any of the multilayer systems.

Color center formation in silica glass induced by high energy Fe and Xe ions

Silica glass samples were implanted with 1.157 GeV Fe-56 and 1.755 GeV Xe-136 ions to fluences range from 1 x 10(11) to 3.8 x 10(12) ions/cm(2). Virgin and irradiated samples were investigated by ultraviolet (UV) absorption from 3 to 6.4 eV and photoluminescence (PL) spectroscopy. The UV absorption investigation reveals the presence of various color centers (E' center, non-bridging oxygen hole center (NBOHC) and ODC(II)) appearing in the irradiated samples. It is found that the concentration of all color centers increase with the increase of fluence and tend to saturation at high fluence. Furthermore the concentration of E' center and that of NBOHC is approximately equal and both scale better with the energy deposition through processes of electronic stopping, indicating that E' center and NBOHC are mainly produced simultaneously from the scission of strained Si-O-Si bond by electronic excitation effects in heavy ion irradiated silica glass. The PL measurement shows three emissions peaked at about 4.28 eV (alpha band), 3.2 eV (beta band) and 2.67 eV (gamma band) when excited at 5 eV. The intensities of alpha and gamma bands increase with the increase of fluence and tend to saturation at high fluence. The intensity of beta band is at its maximum in virgin silica glass and it is reduced on increasing the ions fluence. It is further confirmed that nuclear energy loss processes determine the production of alpha and gamma bands and electronic energy loss processes determine the bleaching of beta band in heavy ion irradiated silica glass. (c) 2009 Elsevier B.V. All rights reserved.

Two-electron-one-photon M1 and E2 transitions between the states of the 2p(3) and 2s(2)2p odd configurations for B-like ions with 18 <= Z <= 92

Two-electron-one-photon (TEOP) M1 and E2 transition energies, line strengths and transition probabilities between the states of the 2p(3) and 2s(2)2p odd configurations for B-like ions with 18 <= Z <= 92 have been calculated using the GRASP2K package based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) method. Employing active-space techniques to expand the configuration list, we have systematically considered the valence, core-valence and core-core electron correlation effects. Breit interaction and quantum electrodynamical (QED) effects were also included to correct atomic state wavefunctions and the corresponding energies. Influences of electron correlation, Breit interaction and QED effects on transition energies and line strengths of the TEOP M1 and E2 transitions were analysed in detail. The present results were also compared with other theoretical and experimental values.

Direct decomposition of NO by microwave heating over Fe/NaZSM-5

Catalytic decomposition of NO was studied over Fe/NaZSM-5 catalyst. Novel results were observed with the microwave heating mode. The conversion of NO to N-2 increased remarkably with the increasing of Fe loading. The effects of a series of reaction parameters, including reaction temperature, O-2 concentration, NO concentration, gas flow rate and H2O addition, on the productivity of N-2 have been investigated. It is shown that the catalyst exhibited good endurance to excess O-2 in the microwave heating mode. Under all reaction conditions, NO converted predominantly to N-2. The highest conversion of NO to N-2 was up to 70%. (C) 2002 Elsevier Science B.V. All rights reserved.

Sorption of metals on humic acid

The sorption on humic acid (HA) of metals from an aqueous solution containing Hg(II). Fe(III), Pb, Cu, Al, Ni, Cr(III), Cd, Zn, Co and Mn, was investigated with special emphasis on effects of pH, metal concentration and HA concentration. The sorption efficiency tended to increase with rise in pH, decrease in metal concentration and increase in HA concentration of the equilibrating solution. At pH 2.4. the order of sorption was: Hg Fe Pb Cu=Al Ni Cr=Zn=Cd=Co=Mn. At pH 3.7. the order was: Hg and Fe were always most readily removed, while Co and Mn were sorbed least readily. There were indications of competition for active sites (CO2H and phenolic OH groups) on the HA between the different metals. We were unable to find correlations between the affinities of the eleven metals to sorb on HA and their atomic weights, atomic numbers, valencies, and crystal and hydrated ionic radii. The sorption of the eleven metals on the HA could be described by the equation Full-size image (1K), where Y = % metal removed by HA; X = mgHA; and A and B are empirical constants

First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)

The elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os) are investigated via first-principles calculations. The calculated results are in agreement with the experimental and other theoretical data. The high ratios of bulk modulus to shear modulus 2.7, 2.0, and 1.8 for gamma'-Fe4N, RuFe3N, and OsFe3N, respectively, indicate that they have good ductility. gamma'-Fe4N possesses the largest B/C-44 (3.41) ratio, which suggests that it is much prone to shearing. The net magnetic moment per formula unit decreases from 9.90 for gamma'-Fe4N, 7.66 for RuFe3N, to 6.80 mu(B) for OsFe3N.

Determination of ultra-trace concentrations of elements in high purity tellurium by inductively coupled plasma mass spectrometry after Fe(OH)(3) coprecipitation

In this work, a method was established for the determination of impurities in high purity tellurium by inductively coupled plasma mass spectrometry (ICP-MS) after Fe(OH)(3) coprecipitation. After comparison of coprecipitation ability and separation efficiency between Fe(OH), and Al(OH)(3), Fe(OH)(3) was chosen as the precipitate. A separation factor of 160 for 200 mg tellurium was obtained under conditions of pH 9 and 2 mg of Fe3(+). The 13 elements, such as Bi, Sn, Pb, In, Tl, Cd, Cu, Co, Ni, Zn, Ti, Be and Zr, could be almost completely coprecipitated under these conditions. In addition, Te memory effect imposed on the ICP-MS instrument was assessed, as well as Te matrix effect that caused the low recovery of Ga, As, Sb and V in real sample was discussed. Finally, the method was evaluated through recovery test and was applied to practical sample analysis, with detection limits of most of the elements being below 0.15 mug g(-1) and R.S.D. below or at approximately 10%, which indicated that this method could fully satisfy the requirements for analysis of 99.999% similar to 99.9999% high purity Te.

添加元素对AB_2型Laves相合金电化学性能的影响

比较系统地研究了 AB2 型 Laves相合金 Zr0 .9Ti0 .1Ni0 .1Mn0 .7V0 .3 M0 .1( M=None,Ni,Mn,V,Co,Cr,Al,Fe,Mo,Si,C,Zn,Cu和 B)的相结构和电化学性能以及高温和低温放电性能等 .结果表明 ,1 4种合金均具有六方 C1 4型 Laves相的主相晶体结构 ,同时 ,含有少量立方 C1 5型 Laves相和一些由 Zr.9Ni11及 Zr Ni组成的非 Laves相 ;添加 V和 Mn可提高 AB2 合金的放电容量 ;添加 B和 Mn则显著提高了 AB2 合金的高倍率放电性能和低温放电容量 ;添加 Al,C,Si和 Co对合金电极的循环稳定性改善明显 ;而 Mn,Ni,V,Fe,Cu,Mo和 B等却不同程度地降低了循环稳定性 ;添加 Si,Mo,V,Cr和 Al可明显改善合金电极的自放电性能 ;添加 Si,Cr,V可显著改善 AB2 合金电极的高温放电性能 .讨论了各种添加元素影响合金性能的可能原因.

Synthesis, structure and characterization of a novel asymmetrical half-sandwich binuclear iron carborane complex [eta(5)-C5H3 (t-Bu)(2)](2)Fe-2 (CO)(3)Se2C2B10H10

Halfsandwich iron dicarbonyl complex [eta(5)-C5H3(t-Bu)(2)]Fe(CO)(2)Cl(1) reacts with 1, 2-dilithium diseleno carborane Li(2)Se(2)C(2)B(10)H10 (2) to give a binuclear iron carborane complex [eta(5)-C5H3(t-Bu)(2)](2)Fe-2(CO)(3) Se2C2B10H10(3). The X-ray diffraction analysis of complex 3 reveals that one of the iron atoms is chiral.