D.G. Ren and X.S. Fan (Laboratory of Atomic Imaging of Solids
,
Institute of Metal Research
,
The Chinese Academy of Sciences
,
Shenyang 110015
,
China)
金属学报(英文版)
The purpose of the present work is to study the NiO cluster formation in Ni3Al alloys by field ion microscope and atom probe (AP-FIM). A polycrystal Ni3Al (B-doped) was heat-treated in atmospheres, the surface adsorption of air (hydrogen, oxygen) moisture etc.) occured on the Ni3Al surface and then these absorbents diffused into the interior of alloy through groin boundaries. AP-FIM studies found that the NiO and AlO clusters appeared in the local regions and amount of NiO clusters is much more than that of AlO. Moreover the hydrogen was simultaneously detected in the identical region.These results provided an experimental evidence that the formation of NiO and AlO clusters is the result of reaction of Ni (or Al) with residual moisture in Ni3Al, i.e. Ni+H2 O→NiO+2H. But the samples of B-free Ni3Al and B-doped single crystal Ni3Al have low concentration of NiO and H. This result shows that the diffusion of H2O molecule was promoted by genie boundaries containing boron. In addition, the boron suppresses environmental emvironmental was discussed, which suggested that the formation of Ni-O bonding has influence on bonding character of Ni-Al atoms and benefits the ductility of alloy.
关键词:
Ni-3Al alloy
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null
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null
Journal of Physics and Chemistry of Solids
The g-shifts Ag( = g-g(s), where g(s) approximate to 2.0023 is the free-ion value) of the isoelectronic 3d(3) series Cr3+. Mn4+ and Fe5+ in SrTiO3 crystals are calculated from the high-order perturbation formula based on the cluster approach for 3d3 ion in cubic octahedral site. The formula includes not only the contribution from the crystal-field (CF) mechanism, but also that from the charge-transfer (CT) mechanism (which is omitted in the CF theory). From the calculations, it is found that the contribution Delta g(CT) from the CT mechanism in sign is contrary to the corresponding Delta g(CF) from the CF mechanism and the relative importance of CT mechanism (characterized by vertical bar Delta g(CT)/Delta g(CF)vertical bar) increases with the increasing valence state (and hence the atomic number) of 3d(3) ion. The positive g-shift Delta g of SrTiO3:Fe5+ is due mainly to the contribution of CT mechanism. So, for the explanations of g factors of the high valence state 3d" ions (e.g. Mn4+ and Fe5+) in crystals, the contributions from both CF and CT mechanisms should be taken into account. (c) 2005 Elsevier Ltd. All rights reserved.
关键词:
oxides;crystal fields;electronic paramagnetic resonance;optical;properties;electron-paramagnetic-resonance;atomic screening constants;scf;functions;luminescence;parameters;spectra;temperature;manganese;lattices;csmgbr3
Advanced Materials
The key to the formation of nanocrystallites from amorphous solids lies in the annealing temperature. This aspect of the preparation of nanocrystalline materials is covered, as are other attractive features of this method, for example, that it can be applied to most alloy and pure element systems, large quantities of nanocrystalline samples can be produced, and the grain size can be controlled. The properties of these materials are also described and it is concluded that more studies on 3D bulk: porosity-free, and clean samples are needed.
关键词:
ultrafine grain-structure;alloys;selenium;sizes
Physical Review B
The pressure effect on crystallization kinetics of amorphous solids was investigated by means of thermodynamic analysis. A model was developed to describe the nucleation process under pressure by considering the crystalline/amorphous (c/a) interface that plays a dominant role in the nucleation process. Applying the model to three types of crystallization process, polymorphous (a-Se), primary (Al89La6Ni5), and eutectic (Ni80P20), we found the calculated results can give reasonable explanations for the experimental observations. The calculation suggests that for a-Se and Ni80P20 amorphous alloy, the initial stage of nucleation is a volume expansion process due to the c/a interface formation, resulting in an increase in the nucleation work with an increment of pressure. Hence the crystallization temperature of the amorphous phase rises when a pressure is applied, while for the Al-La-Ni amorphous alloy, the nucleation barrier decreases at higher pressures. The coincidence between the calculation and the experimental results illustrates that the cia interface formation is the governing factor in the crystallization kinetics of the amorphous solids. [S0163-1829(99)03534-1].
关键词:
activation volume;nanocrystalline state;metallic glasses;diffusion;alloy;selenium;phase;se;transformations;microstructure
Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
The electron paramagnetic resonance (EPR) parameters g and the hyperfine structure constants A of CO2+ in ZnX (X = S, Se, Te) and CdTe are studied, using the perturbation formulas of the EPR parameters for a 3d(7) ion in tetrahedra based on two mechanism models. In these formulas, both the contributions from the conventional crystal-field (CF) mechanism and those from the charge-transfer (CT) mechanism are taken into account. According to the investigations, the sign of the g-shift DeltagCT from the CT mechanism is the same as DeltagCF from the CF mechanism, whereas the contributions to the A value from the CF and CT mechanisms have opposite signs. Particularly, the contributions to the EPR parameters from the CT mechanism increase rapidly with increase of the spin-orbit coupling coefficient of the ligand and the covalency effect of the systems, i.e. S2- < Se2- < Te2-.
关键词:
crystal-fields and Spin Hamiltonians;EPR;Co2+;ZnX (X = S, Se, Te);CdTe;atomic screening constants;scf functions;field theory;cr2+ ion;spectra;znse;complexes;crystal;liyf4;znte
Physica Scripta
The spin Hamiltonian parameters (zero-field splitting D, g factors and hyperfine structure constants) and local structure as well as their concentration dependences for Cd(1-x)Mn(x)S quantum dots are theoretically investigated from the perturbation formulae of these parameters for a 3d(5) ion under trigonally distorted tetrahedra. The impurity Mn(2+) is found not to occupy exactly the host Cd(2+) site in the CdS quantum dots but to experience an inward displacement 0.041 angstrom towards the ligand triangle along the C(3)-axis because of the size mismatching substitution and the internal stress. As compared with bulk CdS : Mn(2+), the larger impurity displacement and stronger Mn(2+) 3d-3s orbital admixture in the Cd(1-x)Mn(x)S quantum dots suitably account for the higher zero-field splitting and hyperfine structure constant, respectively. The impurity axial displacement and the Mn(2+) 3d-3s orbital admixture in the Cd(1-x)Mn(x)S quantum dots may exhibit an approximately cubic increase with increasing the Mn concentration x from 0.001 to 0.15.
关键词:
electron-paramagnetic-resonance;transition-metal impurities;atomic;screening constants;optical-properties;defect structures;scf;functions;crystals;ions;nanocrystals;semiconductor
Journal of Superconductivity and Novel Magnetism
The zero-field splittings (D and E) and the g factor of Gd(x)Eu(1-x)Ba(2)Cu(3)O(7-delta) are theoretically investigated from the superposition model formulas or the zero-field splittings and the approximation formula of the g factor containing the admixtures of the ground (8)S(7/2) and the excited (6)L(7/2) (L = P, D, F, G) states, respectively. Based on the studies, the impurity-ligand bond angles related to the crystalline c axis in the impurity Gd(3+) center are about 1.1 degrees smaller than those in the host Eu(3+) site of EuBa(2)Cu(3)O(7-delta). The calculated D, E, g factor and the effective magnetic moment mu(eff) show reasonable agreement with the experimental data. Particularly, the improvement for the theoretical D is achieved in the present work by considering the above angular distortion.
关键词:
Crystal fields and spin Hamiltonians;EPR;Superposition model;Gd(x)Eu(1-x)Ba(2)Cu(3)O(7-delta);spin-hamiltonian parameters;gd3;superconductor;euba2cu3oy
WANG Haifeng
,
ZHANG Chunxia
,
QI Yuanhong
钢铁研究学报(英文版)
China is short of water seriously. But granulation of blast furnace slag (BFS) with water has many disadvantages, such as high water consumption and difficulty in heat recycling. So developing a new dry granulation technique to treat BFS is very important. The applicability of BFS directly depends on the content of non-crystalline solids in the slag after treatment. So it is of theoretical and practical significance to analyze the content of non-crystalline solids in the slag quantitatively and simply. Metallographical test is mainly adopted to quantify the non-crystalline in BFS now with the shortages such as making sample complexly, determining difficultly and personally. For the diffraction intensity of non-crystalline is proportionate to the content of non-crystalline in BFS, X-ray diffraction method was adopted to quantify the non-crystalline and the crystalline solids in BFS. The quantificational coefficient between the crystalline and the non-crystalline solids of BFS is 0.70 whose main composition is: w（CaO）38.2%，w（SiO2）35.7%，w（Al2O3）16.3%，w（MgO）8.3%. The relatively error of using X-ray diffraction instrument to quantitative analyse non-crystalline content of BFS is less than 1%.
关键词:
Blast Furnace Slag;Non-Crystalline;Crystalline;Quantificational Analysis
