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981.
O.Yu. Kontsevoi Yu. N. Gornostyrev A.J. Freeman M.I. Katsnelson A.V. Trefilov 《Philosophical Magazine Letters》2013,93(7):455-463
The nature of impurity-dislocation interactions is one of the key questions governing the strength and plasticity of solid-solution materials. To investigate the influence of impurities on the mechanical properties of intermetallic NiAl, the electronic structure and energy of NiAl with a <100>{010} edge dislocation and transition-metal impurities was calculated using the real-space tight-binding linear muffin-tin orbital method. The localized electronic states, appearing in the core of the dislocation, are found to lead to strong impurity-dislocation interactions via two mechanisms: firstly, chemical locking, due to strong hybridization between impurity electronic states and dislocation localized states; secondly, electrostatic locking, due to long-range charge oscillations caused by the electron localization in the dislocation core. The results obtained explain qualitatively why the solid-solution hardening effect in NiAl correlates with the electronic structure of impurities rather than with size misfit, as expected according to traditional views. 相似文献
982.
In this letter we employ high-precision Monte Carlo simulations to investigate tracer diffusion kinetics for diffusion via divacancies in the bcc lattice. We utilize the mechanisms originally identified by Mehrer in which the divacancy can move by nearest-neighbour jumps with stable first-nearest-neighbour, second-nearest-neighbour and fourth-nearest-neighbour configurations of the divacancy. The tracer correlation factor and the 'impurity-form' correlation factor were found to be some 4-6% lower than those found by the matrix method. The tracer diffusion data and isotope effect for sodium were revisited in terms of monovacancy and divacancy contributions. The main change is a revision upwards from 0.55 to 0.61 of the j K kinetic factor for divacancies. 相似文献
983.
Abstract This Letter presents a solution of the problem of the real temperature of nanoparticles under conditions of electron microscope beam irradiation. It is shown that the average temperature of the nanoparticles (NPs) may increase to several hundred degrees depending on contact conditions with the substrate, the intensity of the beam and the size of the NPs. The temperature increases with NP size a according to the dependence: T α a2 for sufficiently small particles. 相似文献
984.
This letter presents the results of internal-friction measurements of Co 70 Fe 5 Si 15 B10 metallic glass at temperatures 400K h T h 700K and frequencies 0.01 Hz h f h 0.05Hz. It is shown that Maxwellian viscoelastic damping is predominant in this case. The nature of this damping is determined by irreversible structural relaxation. The kinetic relaxation law is derived. 相似文献
985.
The electrostatic potential and associated space charge across a 24°, [001] tilt boundary of SrTiO3 ceramic have been determined using electron holography. The results reveal a positive charged interface with a negative space charge on either side. The form of the double Schottky barrier and the local charge-density distribution at the interface are derived from the results. 相似文献
986.
Cu 55 Zr 30 Ti 10 Co 5 bulk metallic glass exhibits a high compressive fracture strength of 2.31 GPa and Young's modulus of 130 GPa, values that are higher than those of other Cu- and Zr-based metallic glasses. The addition of Co to the ternary Cu-Zr-Ti alloy stabilizes the supercooled liquid. On heating, the Cu 55 Zr 30 Ti 10 Co 5 metallic glass devitrified and formed an intermediate intermetallic compound prior to reaching equilibrium by diffusion-controlled growth at constant nucleation rate. In the fully annealed state the structure consists of the equilibrium Cu 10 Zr 7 phase with the slightly reduced lattice parameters a = 0.933 nm, b = 0.928 nm and c = 1.254 nm and a small fraction of an unidentified phase. 相似文献
987.
The specific heat and magnetocaloric effect (MCE) of A-site ordered PrBaMn2O6 manganite have been studied. The anomalies caused by the ferromagnetic (FM) and antiferromagnetic (AFM) phase transitions are revealed in the specific heat curve. Direct and inverse MCE are observed at the Curie and Néel points correspondingly. A value of the inverse MCE in the heating run is smaller than in the cooling regime. We attribute this effect to the competition between FM and AFM interactions. A significant advantage of PrBaMn2O6 as a magnetocaloric material is an MCE spanning a broad range of temperature with a maximum at room temperature. 相似文献
988.
Yu.B. Bolkhovityanov A.S. Deryabin A.K. Gutakovskii L.V. Sokolov 《Philosophical Magazine Letters》2013,93(7):458-464
Edge misfit dislocations (MDs) formed as result of reactions between 60° glissile threading dislocations and 60° MDs lying on an intersecting glide plane were found in strained GeSi-on-Si(001) and Ge-on-InGaAs/GaAs films. It was demonstrated that dislocations penetrating from the InGaAs buffer layer to the strained Ge film can provoke formation of not only 60° MDs, but also edge MDs on the interface even at minor mismatch of the lattice parameters of the film and the InGaAs/GaAs virtual substrate. 相似文献
989.
990.