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101.
Specific layer-stacking irregularities have been identified in C36 (4H) Nb–Cr and Ti–Cr Laves phases on the basis of X-ray diffraction line-profile analysis and high-resolution transmission electron microscopy. Domain boundaries and transformation errors within domains could be distinguished. The layer-stacking irregularities in both C36-NbCr2 and C36-TiCr2 can be associated with a preceding C14 (2H) → C36 (4H) phase transformation carried out by glide of mobile synchro-Shockley partial dislocation dipoles in an ordered fashion. The stacking irregularities observed can be interpreted as deviations from such perfect “ordered glide”. The interpretation is supported by the observation that, in the case of C36-NbCo2, where no preceding C14 → C36 transformation occurs, different layer-stacking irregularities are observed. 相似文献
102.
The paper describes a novel transmission electron microscopy (TEM) experiment with in situ ion irradiation designed to improve and validate a computer model. TEM thin foils of molybdenum were irradiated in situ by 1?MeV Kr ions up to ~0.045 displacements per atom (dpa) at 80°C at three dose rates ?5?×?10?6, 5?×?10?5, and 5?×?10?4?dpa/s – at the Argonne IVEM-Tandem Facility. The low-dose experiments produced visible defect structure in dislocation loops, allowing accurate, quantitative measurements of defect number density and size distribution. Weak beam dark-field plane-view images were used to obtain defect density and size distribution as functions of foil thickness, dose, and dose rate. Diffraction contrast electron tomography was performed to image defect clusters through the foil thickness and measure their depth distribution. A spatially dependent cluster dynamic model was developed explicitly to model the damage by 1?MeV Kr ion irradiation in an Mo thin foil with temporal and spatial dependence of defect distribution. The set of quantitative data of visible defects was used to improve and validate the computer model. It was shown that the thin foil thickness is an important variable in determining the defect distribution. This additional spatial dimension allowed direct comparison between the model and experiments of defect structures. The defect loss to the surfaces in an irradiated thin foil was modeled successfully. TEM with in situ ion irradiation of Mo thin foils was also explicitly designed to compare with neutron irradiation data of the identical material that will be used to validate the model developed for thin foils. 相似文献
103.
The effect of Pt on the growth kinetics of the γ′-[Ni(Pt)]3Al ordered intermetallic phase and the γ-Ni(Pt, Al) solid solution diffusion rates of the species, hardness and elastic modulus was examined by employing the diffusion couple experimental technique. Experiments were conducted by using the β-Ni(Pt)Al phase and Ni(Pt) alloy couples, each of which had a fixed amount of Pt (5, 10 and 15 at. %) in both the end members so that the Pt content is more or less constant throughout the interdiffusion zone. The results suggest that the growth kinetics of both phases and the average effective interdiffusion coefficients of Ni and Al increase with the increase in Pt content. Nanoindentation studies across the compositional gradients show that the mechanical properties of the intermetallic phase in the superalloy are relatively insensitive to the presence of Pt but are more sensitive to the Ni/Al ratio. In contrast, the marked variation in the hardness of the γ phase were noted, increasing markedly with Al concentration in a given couple and also increasing with increasing Pt content. Possible causes for the observed variations are discussed. 相似文献
104.
AbstractIrradiation with high-energy particles induces athermal migration of point defects, which affects defect reactions at low temperatures where thermal migration is negligible. We conducted molecular dynamics simulations of vacancy migration in iron and copper driven by recoil energies under electron irradiation in a high-voltage electron microscope. Minimum kinetic energy required for migration was about 0.8 and 1.0 eV in iron and copper at 20 K, which was slightly higher than the activation energy for vacancy migration. Around the minimum energy, the migration succeeded only when a first nearest neighbour (1NN) atom received the kinetic energy towards the vacancy. The migration was induced by higher kinetic energies even with larger deflection angles. Above several electron-volts and a few 10s of electron-volts, vacancies migrated directly to 2NN and 3NN sites, respectively. Vacancy migration had complicated directional dependence at higher kinetic energies through multiple collisions and replacement of atoms. The probability of vacancy migration increased with the kinetic energy and remained around 0.3–0.5 jumps per recoil event for 20–100 eV. At higher temperatures, thermal energies slightly increased the probability for kinetic energies less than 1.5 eV. The cross section of vacancy migration was 3040 and 2940 barns for 1NN atoms in iron and copper under irradiation with 1.25 MV electrons at 20 K: the previous result was overestimated by about five times. 相似文献
105.
K. K.J. Ranga Dinesh K. W. Jenkins M. P. Kirkpatrick W. Malalasekera 《Combustion Theory and Modelling》2013,17(6):947-971
Large eddy simulations (LES) of turbulent non-premixed swirling flames based on the Sydney swirl burner experiments under different flame characteristics are used to uncover the underlying instability modes responsible for the centre jet precession and large scale recirculation zone. The selected flame series known as SMH flames have a fuel mixture of methane-hydrogen (50:50 by volume). The LES solves the governing equations on a structured Cartesian grid using a finite volume method, with turbulence and combustion modelling based on the localised dynamic Smagorinsky model and the steady laminar flamelet model respectively. The LES results are validated against experimental measurements and overall the LES yields good qualitative and quantitative agreement with the experimental observations. Analysis showed that the LES predicted two types of instability modes near fuel jet region and bluff body stabilised recirculation zone region. The mode I instability defined as cyclic precession of a centre jet is identified using the time periodicity of the centre jet in flames SMH1 and SMH2 and the mode II instability defined as cyclic expansion and collapse of the recirculation zone is identified using the time periodicity of the recirculation zone in flame SMH3. Finally frequency spectra obtained from the LES are found to be in good agreement with the experimentally observed precession frequencies. 相似文献
106.
The spin-Hamiltonian (SH) parameters (g factors g //, g ⊥ and hyperfine structure constants 63 A //, 63 A ⊥, 65 A //, 65 A ⊥) for Cu2+ ions in the trigonally-distorted tetrahedral sites of ZnO and GaN crystals are calculated from a complete diagonalization (of energy matrix) method (CDM) based on a two spin-orbit parameter model for d 9 ions in trigonal symmetry. In the method, the Zeeman and hyperfine interaction terms are added to the Hamiltonian in the conventional CDM. The calculated results are in good agreement with the experimental values. The calculated SH parameters are also compared with those using the traditional diagonalization method or perturbation method only within the 2 T 2 term. It appears that, for exact calculations of SH parameters of d 9 ions in trigonal tetrahedral clusters in crystals, the present CDM is preferable to the traditional diagonalization method or perturbation method within the 2 T 2 term. The local structures of Cu2+ centers (which differ from the corresponding structure in the host crystal) in ZnO : Cu2+ and GaN : Cu2+ are obtained from the calculations. The results are discussed. 相似文献
107.
108.
利用密度泛函理论(DFT)在B3LYP/6-311G++(d,p)水平上对溴化苄分子进行了结构优化和频率计算,得到了该分子的稳定构型和全部振动模式。计算得到的几何参数通过与苯分子的实验值相比,发现理论值与其相吻合;理论计算和实验测得的红外光谱数据的比较分析表明,理论计算与实验测量结果符合得较好,并对其振动模式进行了归属。最后,在B3LYP/6-311G++(d,p)水平上计算得到了溴化苄阳离子的红外光谱,并与溴化苄进行了比较,计算表明电离对振动偶极距产生了较大影响。 相似文献
109.
110.