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We present a theoretical first-principles investigation of the structure and lattice dynamics of several layered semiconductors. The equilibrium structure as obtained by minimization of the total energy of the bulk materials is in good agreement with experiment. Furthermore, we have investigated the surface of these materials in order to obtain information on the van der Waals epitaxial growth. We found that the relaxed atomic positions at the surface deviate from the ideal ones in the bulk by less than 1%, which is obviously a consequence of the weak interlayer forces. Additionally, bulk phonon-dispersion curves have been calculated along several high symmetry directions within the density-functional perturbation theory (DFPT). The weak interlayer interaction makes the vibrational properties of the bulk very similar to those of the surface. In fact, our ab initio calculations for the bulk reproduce well both the experimental bulk phonon frequencies obtained by inelastic neutron scattering and the experimental surface phonon dispersion measured with inelastic He-atom scattering (HAS).  相似文献   
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Intermetallic titanium aluminides offer an attractive combination of low density and good oxidation and ignition resistance with unique mechanical properties. These involve high strength and elastic stiffness with excellent high temperature retention. Thus, they are one of the few classes of emerging materials that have the potential to be used in demanding high‐temperature structural applications whenever specific strength and stiffness are of major concern. However, in order to effectively replace the heavier nickel‐base superalloys currently in use, titanium aluminides must combine a wide range of mechanical property capabilities. Advanced alloy designs are tailored for strength, toughness, creep resistance, and environmental stability. These concerns are addressed in the present paper through global commentary on the physical metallurgy and associated processing technologies of γ‐TiAl‐base alloys. Particular emphasis is paid on recent developments of TiAl alloys with enhanced high‐temperature capability.  相似文献   
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The transient Green's function of the 2‐D Lamb's problem for the general case where point source and receiver are situated beneath the traction‐free surface is derived. The derivations are based on Laplace‐transform methods, utilizing the Cagniard–de Hoop inversion. The Green's function is purely algebraic without any integrals and is presented in a numerically applicable form for the first time. It is used to develop a Green's function BEM in which surface discretizations on the traction‐free boundary can be saved. The time convolution is performed numerically in an abstract complex plane. Hence, the respective integrals are regularized and only a few evaluations of the Green's function are required. This fast procedure has been applied for the first time. The Green's function BEM developed proved to be very accurate and efficient in comparison with analogue BEMs that employ the fundamental solution. Copyright © 1999 John Wiley & Sons, Ltd.  相似文献   
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The goal of this paper is to propose a new approach towards the evaluation of dilatometric results, which are often employed to analyse the phase transformation kinetics in steel, especially in terms of continuous cooling transformation (CCT) diagram. A simple task of dilatometry is deriving the start and end temperatures of the phase transformation. It can yield phase transformation kinetics provided that plenty metallographic investigations are performed, whose analysis is complicated especially in case of several coexisting product phases. The new method is based on the numerical solution of a thermomechanical identification problem. It is expected that the phase transformation kinetics can be derived by this approach with less metallographic tasks. The first results are remarkably promising although further investigations are required for the numerical simulations.  相似文献   
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Carbon nanosheets are mechanically stable, free‐standing two‐dimensional materials with a thickness of ≈1 nm and well defined physical and chemical properties. They are made by radiation‐induced cross‐linking of aromatic self‐assembled monolayers. Herein, a route is presented to the scalable fabrication of multilayer nanosheets with tunable electrical, optical, and chemical properties on insulating substrates. Stacks of up to five nanosheets with sizes of ≈1 cm2 on oxidized silicon are studied. Their optical characteristics are investigated by visual inspection, optical microscopy, UV–vis reflection spectroscopy, and model calculations. Their chemical composition is studied by X‐ray photoelectron spectroscopy. The multilayer samples are then annealed in an ultrahigh vacuum at various temperatures up to 1100 K. A subsequent investigation by Raman, X‐ray photoelectron, and UV–vis reflection spectroscopy, as well as by electrical four‐point probe measurements, demonstrates that the layered nanosheets transform into nanocrystalline graphene. This structural and chemical transformation is accompanied by changes in the optical properties and electrical conductivity and opens up a new path for the fabrication of ultrathin functional conductive coatings.  相似文献   
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Atmospheric pressure plasma‐chemical etching and deposition. Application in crystalline silicon photovoltaics. For industrial processing of wafer based crystalline silicon solar cells a variety of different technologies are applied. The combination of these requires a complex wafer handling; increasing not only investment costs, but also the risk of wafer breakage. Application of plasma technologies offers the possibility to manufacture crystalline silicon solar cells without any wet chemical or vacuum processes. At Fraunhofer IWS all etching steps necessary for the production of solar cells and the deposition of silicon nitride as passivation and anti‐reflection coating were demonstrated successfully using atmospheric pressure plasma technologies.  相似文献   
59.
    
Carbon nanosheets are mechanically stable, free-standing two-dimensional materials with a thickness of ≈1 nm and well defined physical and chemical properties. They are made by radiation-induced cross-linking of aromatic self-assembled monolayers. Herein, a route is presented to the scalable fabrication of multilayer nanosheets with tunable electrical, optical, and chemical properties on insulating substrates. Stacks of up to five nanosheets with sizes of ≈1 cm(2) on oxidized silicon are studied. Their optical characteristics are investigated by visual inspection, optical microscopy, UV-vis reflection spectroscopy, and model calculations. Their chemical composition is studied by X-ray photoelectron spectroscopy. The multilayer samples are then annealed in an ultrahigh vacuum at various temperatures up to 1100 K. A subsequent investigation by Raman, X-ray photoelectron, and UV-vis reflection spectroscopy, as well as by electrical four-point probe measurements, demonstrates that the layered nanosheets transform into nanocrystalline graphene. This structural and chemical transformation is accompanied by changes in the optical properties and electrical conductivity and opens up a new path for the fabrication of ultrathin functional conductive coatings.  相似文献   
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