Mössbauer and XRD Comparative Study of Host Rock and Iron Rich Mineral Samples from Paz del Rio Iron Ore Mineral Mine in Colombia

The local environment of implanted ¹¹¹Ag (t _1/2 = 7.45 d) in single-crystalline [0001] ZnO was evaluated by means of the perturbed angular correlation (PAC) technique. Following the 60 keV low dose (1 × 10¹³ cm⁻²) ¹¹¹Ag implantation, the PAC measurements were performed for the as-implanted state and following 30 min air annealing steps, at temperatures ranging from 200 to 1050°C. The results revealed that 42% of the probes are located at defect-free S_Zn sites (ν _Q ∼ 32 MHz, η = 0) in the as-implanted state and that this fraction did not significantly change with annealing. Moreover, a progressive lattice recovery in the near vicinity of the probes was observed. Different EFGs assigned to point defects were furthermore measured and a general modification of their parameters occurred after 600°C. The 900°C annealing induced the loss of 30% of the ¹¹¹Ag atoms, 7% of which were located in regions of high defects concentration.     

Electron irradiation effects in doped high temperature superconductors YBa2Cu3? x M x O y (M = Fe, Ni; x=0; x =0:01)

The influence of irradiation by electrons with an energy of 8 MeV, at dose intervals between 10¹³ and 2×10¹⁸el/cm², on the properties of impurity doped, high-temperature superconductor YBa₂Cu_3−x M _x O _y (M = Fe, Ni; x=0; x=0:01) ceramics has been studied. It has been established that, as the irradiation dose is increased, the onset temperature of the transition to the superconducting state (T _c ^on ), and the intergranular weak link coupling temperature between granules (T _m ^J ), exhibit an oscillation around their initial values of approximately about 1–1.5 K. This oscillation indicates that the process of radiation defect formation in HTSC occurs in multiple stages. It was also found that the critical current (J _c )decreases with an increase of the irradiation dose, and exhibits a local minimum at a dose of 8×10¹⁶el/cm²coinciding with minima for T _c ^on and T _m ^J at this dose. It was found that the introduction of Fe atoms to the ceramic decreases T _m ^J , while introducing Ni atoms decreases both T _c ^on and T _m ^J ; it is suggested that this is a result of Ni substitution of Cu both in Cu2 plane sites and Cu1 chain sites. The introduction of Ni causes a large change in the intergranular critical current density, J _c . A critical irradiation dose is obtained (2×10¹⁸)after which all HTSC parameters strongly decrease, i. e. the superconductivity of HTSC is destroyed.      

Analytical solutions for some defect problems in 1D hexagonal and 2D octagonal quasicrystals

We study some typical defect problems in one-dimensional (1D) hexagonal and two-dimensional (2D) octagonal quasicrystals. The first part of this investigation addresses in detail a uniformly moving screw dislocation in a 1D hexagonal piezoelectric quasicrystal with point group 6mm. A general solution is derived in terms of two functions φ ₁, φ ₂, which satisfy wave equations, and another harmonic function φ ₃. Elementary expressions for the phonon and phason displacements, strains, stresses, electric potential, electric fields and electric displacements induced by the moving screw dislocation are then arrived at by employing the obtained general solution. The derived solution is verified by comparison with existing solutions. Also obtained in this part of the investigation is the total energy of the moving screw dislocation. The second part of this investigation is devoted to the study of the interaction of a straight dislocation with a semi-infinite crack in an octagonal quasicrystal. Here the crack penetrates through the solid along the period direction and the dislocation line is parallel to the period direction. We first derive a general solution in terms of four analytic functions for plane strain problem in octagonal quasicrystals by means of differential operator theory and the complex variable method. All the phonon and phason displacements and stresses can be expressed in terms of the four analytic functions. Then we derive the exact solution for a straight dislocation near a semi-infinite crack in an octagonal quasicrystal, and also present the phonon and phason stress intensity factors induced by the straight dislocation and remote loads.      

The effect of controlled ion bombardment on the electronic structure of the Si(0 0 1) surface

We have studied the effects of controlled ion bombardment on the electronic structure of the Si(0 0 1) surface. The surface was exposed to various doses of Ar⁺ ions accelerated towards the surface at 500 eV. X-ray photoelectron spectroscopy (XPS) spectra of the irradiated H-terminated Si(0 0 1) surface reveal the appearance of peaks that are associated with the presence of cleaved Si bonds. Ultraviolet photoelectron spectroscopy (UPS) spectra of the irradiated Si(0 0 1)2 × 1 surface show that the dimer dangling-bond surface state decays monotonically with increasing dose. These results, coupled with previous scanning tunneling microscopy (STM) studies, indicate that the breaking of dimers, and possibly the creation of adatom-like defects, during ion irradiation are responsible for the changes in the electronic structure of the valence band for this surface.     

Vacancy-like defects in nanocrystalline SnO2: influence of the annealing treatment under different atmospheres

The study of electronic and chemical properties of semiconductor oxides is motivated by their several applications. In particular, tin oxide is widely used as a solid state gas sensor material. In this regard, the defect structure has been proposed to be crucial in determining the resulting film conductivity and then its sensitivity. Here, the characteristics of vacancy-like defects in nanocrystalline commercial high-purity tin oxide powders and the influence of the annealing treatment under different atmospheres are presented. Specifically, SnO₂ nanopowders were annealed at 330 °C under three different types of atmospheres: inert (vacuum), oxidative (oxygen) and reductive (hydrogen). The obtained experimental results are discussed in terms of the vacancy-like defects detected, shedding light to the basic conduction mechanisms, which are responsible for gas detection.     

First-principles study on the electronic structure and optical properties of La0.75Sr0.25MnO3-σ materials with oxygen vacancies defects

The electronic structure and optical properties of La_0.75Sr_0.25MnO_3-σ (LSMO_3-σ) materials with 1 × 1 × 4 orthorhombic perovskite structure were performed by first-principles calculation. The structural changing of LSMO₃ (ideal structure, σ = 0) was not obvious under generalized gradient approximation (GGA) and GGA + U arithmetic. On the contrary, the structural changing of LSMO_3-σ (σ = 0.25, with oxygen vacancies defects in the z = 0, c/8, c/6, c/4, and c/2) with GGA + U were more obvious than the result of ideal. This structural distortion induced distinct changing in density of states (DOS) for LSMO_3-σ materials. Oxygen vacancy defects caused a shift of the total density of states (TDOS) features toward low binding energies and LSMO_3-σ keep half-metal properties as well as LSMO₃ ideal structure. In addition, the hybridization between the Mn-e_g and O-2p orbital was weakened and the partial density of states (PDOS) of Mn indicated a strong d-d orbital interaction. By the result of oxygen vacancy formation energy, oxygen vacancy defects can be more easily formed in La-O layers (z = 0 and c/6) to compare with other layers (z = c/8, c/4 and c/2). The calculation result of optical properties suggested that the ideal LSMO could be produced strong absorption in the range of ultraviolet and visible light, while the LSMO_3-σ with oxygen vacancies defects were presented weak absorption in the range of visible light.     

Characterisation of atomic-scale defects in ODS ferritic alloys by positron annihilation

The vacancy-type defects and their local chemical environment in different ODS alloys produced in the USA (14YWT), China (K5) and Russia (ODS EP-450) are studied. The Angular Correlation of Annihilation Radiation (ACAR), which is one of the positron annihilation spectroscopy method, was used. It was shown that in all alloys, except 14YWT, the dominant type of positron traps are vacancy-like defects, localised in matrix or associated with dislocations and/or interfaces of the incoherent particles. In the case of 14YWT alloy, which contains Y–Ti–O nanoclusters of a high density, the positrons confine and annihilate at O-vacancy pairs or complexes within nanoclusters. It is testified by enhanced electron density in annihilation sites and neighbourhood of Ti and Y atoms. These results, obtained by the ACAR method, indicate that the vacancies play an essential role in the formation of nanoclusters in ODS 14YWT alloy as it was theoretical predicted by first-principle calculations.     

过载作用下聚乙烯疲劳裂纹扩展行为研究

论文针对中密度聚乙烯材料(MDPE),采用平板试样进行了I型疲劳裂纹扩展和单次过载下裂纹扩展试验．发现与金属材料类似,单次拉伸过载对聚乙烯(PE)的疲劳裂纹扩展有明显的迟滞作用,降低了裂纹扩展速率．试验还通过变载荷刻线法获取疲劳裂纹扩展前缘的实际形貌和变化规律,对常规变载荷刻线方法进行了调整和验证,其修正方法对高分子材料的疲劳裂纹扩展前缘刻线具有较好的效果．通过观察发现含楔形塑性区的裂尖钝化是裂纹迟滞的主要原因．过载引入的塑性区内残余应力对裂纹迟滞也起了重要作用．论文利用Dugdale模型计算了塑性区尺寸,使用基于残余应力的Wheeler模型对过载迟滞进行了很好的拟合．