A thermodynamic approach to mechanical stability of nanosized particles

Thermodynamic stability conditions for nanoparticles (resulting from non-negativity of the second variation of the free energy) have been analyzed for two cases: (i) a nonvolatile nanosized particle with the size-dependent surface tension; (ii) the limiting case of larger objects when the surface tension takes its macroscopic value. It has been shown that the mechanical stability of a nanoparticle, i.e. its stability relative to the volume fluctuations, is defined by an interplay between the excess (“surface”) free energy and the volumetric elastic energy. According to the results obtained, noble gas clusters and metal nanoparticles satisfy the mechanical stability condition. At the same time, water nanodrops, as well as nanoparticles presented by nonpolar organic molecules, correspond to the stability limit. Among the investigated systems, the stability condition is not carried out for n-Pentane clusters.     

Electronic structures and mechanical properties of uranium monocarbide from first-principles and calculations

The electronic structure, elastic constants, Poisson's ratio, and phonon dispersion curves of UC have been systematically investigated from the first-principles calculations by the projector-augmented-wave (PAW) method. In order to describe precisely the strong on-site Coulomb repulsion among the localized U 5f electrons, we adopt the local density approximation (LDA)+U and generalized gradient approximation (GGA)+U formalisms for the exchange correlation term. We systematically study how the electronic properties and elastic constants of UC are affected by the different choice of U as well as the exchange-correlation potential. We show that by choosing an appropriate Hubbard U parameter within the GGA+U approach, most of our calculated results are in good agreement with the experimental data. Therefore, the results obtained by the GGA+U with effective Hubbard parameter U chosen around 3 eV for UC are considered to be reasonable.     

Proton and alpha radioactivity of very neutron deficient Te,I, Xe and Cs isotopes,studied after electrostatic separation

In fusion reactions of⁵⁸Ni beams with⁵⁴Pe and⁵⁸Ni target nuclei neutron deficient evaporation residues have been produced and separated from the beam in an electrostatic deflector with large acceptance. The recoil nuclei were implanted and detected in an array of 100 PIN photodiodes, where also their particle decays were recorded. The assignment of the 0.81 MeV proton line to the decay of¹⁰⁹I could be experimentally proven by the observation, that it is followed by the 3.31 MeV alpha emission from¹⁰⁸Te. A proton decay from¹¹²Cs was not observed. The decay energies of a number of known emitters have been measured with better precision.Dedicated to Prof. Dr. P. Kienle on the occasion of his 60th birthday     

Nature of the axial-vector mesons from their N<Subscript>c</Subscript> behavior within the chiral unitary approach

By describing within the chiral unitary approach the s -wave interaction of the vector meson nonet with the octet of pseudoscalar Goldstone bosons, we find that the main component of the axial-vector mesons --b ₁(1235) , h ₁(1170) , h ₁(1380) , a ₁(1260) , f ₁(1285) and the two states associated to the K ₁(1270) -- does not follow the QCD dependence on the number of colors for ordinary q mesons.     

On the size dependence of surface tension in the temperature range from melting point to critical point

The problem of size dependence of surface tension was investigated in view of a more general problem of the applicability of Gibbs’ thermodynamics to nanosized objects. For the first time, the effective surface tension (coinciding with the specific excess free energy for an equimolecular dividing surface) was calculated within a wide temperature range, from the melting temperature to the critical point, using the thermodynamic perturbation theory. Calculations were carried out for Lennard-Jones and metallic nanosized droplets. It was found that the effective surface tension decreases both, with temperature and particle size.     

Mass-transport driven by surface instabilities in metals under reactive plasma/ion beam treatment at moderate temperature

This paper presents a generalized approach to the mechanisms of oxidation, hydrogenation and nitriding of metals under ion irradiation with reactive particles at elevated temperatures. Experimental results on the plasma oxidation of bilayered Y/Zr films, the plasma hydrogenation of Mg films and the ion beam (1.2 keV N ₂ ⁺ ) nitriding of stainless steel are presented and discussed. We make special emphasis on the analysis of surface effects and their role in the initiation of mixing of bilayered films, the ingress of reactive species in the bulk and the restructuring of the surface layers. It is suggested that primary processes driving reactive atoms from the surface into the bulk are surface instabilities induced by thermal and ballistic surface atom relocations under reactive adsorption and ion irradiation, respectively. The diffusion of adatoms and vacancies, at temperature when they become mobile, provide the means to relax the surface energy. It is recognized that the stabilizing effect of surface adatom diffusion is significant at temperatures below 300–350°C. As the temperature increases, the role of surface adatom diffusion decreases and processes in the bulk become dominant. The atoms of subsurface monolayers occupy energetically favorable sites on the surface, and result in reduced surface energy.     

Mixing-induced CP violating sources for electroweak baryogenesis from a semiclassical approach

The effects of flavor mixing in electroweak baryogenesis is investigated in a generalized semiclassical WKB approach. Through calculating the non-adiabatic corrections to the particle currents, it is shown that extra CP violation sources arise from the off-diagonal part of the equation of motion of particles moving inside the bubble wall. This type of mixing-induced source is of first order in a derivative expansion of the Higgs condensate, but it is oscillation suppressed. The numerical importance of the mixing-induced source is discussed in the minimal supersymmetric standard model and compared with the source term induced by a semiclassical force. It is found that in a large parameter space where oscillation suppression is not strong enough, the mixing-induced source can dominate over that from the semiclassical force.     

溅射压强对TiN/SiNx纳米多层膜微观结构及力学性能的影响

利用磁控溅射方法在不同溅射压强条件下制备了TiN/SiN_x纳米多层膜.多层膜的微观结构及力学性能分别用X射线衍射仪、原子力显微镜及纳米压痕仪来表征.结果表明随着溅射压强的增大,多层膜的界面变模糊,TiN层的择优取向由(200)晶面过渡到(111)晶面.与此同时,多层膜的表面粗糙度增大,硬度和弹性模量随溅射压强的增大而减小.多层膜力学性能的差异主要是由于薄膜的周期性结构及致密度存在差异所致. 关键词： x多层膜')" href="#">TiN/SiN_x多层膜 界面宽度 表面形貌     

f0(980)-meson as a $$ \bar K $$ molecule in a phenomenological Lagrangian approach

We discuss a possible interpretation of the f ₀(980)-meson as a hadronic molecule —a bound state of K and mesons. Using a phenomenological Lagrangian approach we calculate the strong f ₀(980) → ππ and electromagnetic f ₀(980) → γγ decays. The compositeness condition provides a self-consistent method to determine the coupling constant between f ₀ and its constituents, K and . Form factors governing the decays of the f ₀(980) are calculated by evaluating the kaon loop integrals. The predicted f ₀(980) → ππ and f ₀(980) → γγ decay widths are in good agreement with available data and results of other theoretical approaches.     

Determination of electron affinity of electron accepting molecules

The unoccupied π ^* states of the solid film of electron accepting organic molecules, 7,7,8,8-tetracyanoquinodimethane (TCNQ), fluorinated TCNQ derivatives, 11,11,12,12-tetracyanonaphtho-2,6-quinodimethane (TNAP), C₆₀, and 6,6-phenyl-C₆₁-butyric acid methyl ester (PCBM) have been studied by inverse photoemission spectroscopy. The assignment of the π ^* affinity levels of these typical electron accepting molecules provides the basic information for the organic electronics and the new electronic functional molecular design. The comparison with density functional theory calculations enables understanding how the electron affinity evolves in terms of molecular orbitals. The correlation between the film morphology and the irradiation damage on the TCNQ derivative samples by electron impact during the inverse photoemission measurements is also discussed.     

Statistical Physics on the Space (x, v) for Dissipative Systems and Study of an Ensemble of Harmonic Oscillators in a Weak Linear Dissipative Medium

We use the phase space position-velocity (x, v) to deal with the statistical properties of velocity dependent dynamical systems, like dissipative ones. Within this approach, we study the statistical properties of an ensemble of harmonic oscillators in a linear weak dissipative media. Using the Debye model of a crystal, we calculate at first order in the dissipative parameter the entropy, free energy, internal energy, equation of state and specific heat using the classical and quantum approaches. For the classical approach we found that the entropy, the equation of state, and the free energy depend on the dissipative parameter, but the internal energy and specific heat do not depend of it. For the quantum case, we found that all the thermodynamical quantities depend on this parameter. PACS: 05.20.Gg, 05.30.Ch, 05.20.-y, 05.30.-d     

Projection operator approach to transport in complex single-particle quantum systems

We discuss the time-convolutionless (TCL) projection operator approach to transport in closed quantum systems. The projection onto local densities of quantities such as energy, magnetization, particle number, etc. yields the reduced dynamics of the respective quantities in terms of a systematic perturbation expansion. In particular, the lowest order contribution of this expansion is used as a strategy for the analysis of transport in “modular” quantum systems corresponding to quasi one-dimensional structures which consist of identical or similar many-level subunits. Such modular quantum systems are demonstrated to represent many physical situations and several examples of complex single-particle models are analyzed in detail. For these quantum systems lowest order TCL is shown to represent an efficient tool which also allows to investigate the dependence of transport on the considered length scale. To estimate the range of validity of the obtained equations of motion we extend the standard projection to include additional degrees of freedom which model non-Markovian effects of higher orders.     

Interfacial instability in bilayer films due to solvent evaporation

We perform a linear analysis of the Marangoni instability of a deformable interface between two fluid layers of finite depths, submitted to a gradient of solvent concentration induced by evaporation at the top layer, in the presence of convective as well as diffusive solvent transport. We discuss, in turn, the influence on the onset of the instability of the solvent evaporation rate, of the ratios of viscosity and diffusivity, of the rate of convection and of the layer depths. Qualitative comparison with experimental observations of spin-coating processes of solution of two immiscible polymers are then performed, yielding satisfactory agreement.     

On applicability of Gibbs thermodynamics to nanoparticles

The problem of applicability of thermodynamics to small objects has been investigated. It is shown that the Gibbs surface phase method may be extended to nanoparticles if the effective surface tension (the specific excess free energy) is interpreted as a function of the particle radius. Dedicated to the Centennial of J.W. Gibb's Death     

Multi-shot interference approach for any kind of Bravais lattice

A mathematical scheme capable of describing the features of the photolithographic multi-beam–multi-shot approach is introduced here. We will show in detail how such a technique can reproduce any of the fourteen three-dimensional Bravais lattices. Furthermore, we will mathematically show the independence of the lattice constant of the structure from the laser wavelength. Finally, we will compare the four-beams–one-shot and the three-beams–three-shots techniques by means of simulations reproducing opal and connected FCC-like lattices.     

Time evolution of the classical and quantum mechanical versions of diffusive anharmonic oscillator: an example of Lie algebraic techniques

We present the general solutions for the classical and quantum dynamics of the anharmonic oscillator coupled to a purely diffusive environment. In both cases, these solutions are obtained by the application of the Baker-Campbell-Hausdorff (BCH) formulas to expand the evolution operator in an ordered product of exponentials. Moreover, we obtain an expression for the Wigner function in the quantum version of the problem. We observe that the role played by diffusion is to reduce or to attenuate the the characteristic quantum effects yielded by the nonlinearity, as the appearance of coherent superpositions of quantum states (Schr?dinger cat states) and revivals.     

Structural and mechanical properties of MoS2–Ix nanotubes and Mo6SxIy nanowires

Using a scanning probe microscope, we investigate the structure, electronic and mechanical properties of MoS₂–I_x nanotubes and Mo₆S_xI_y nanowires. The electronic properties are interestingly very sensitive to the stoichiometry of the nanowires, which can be controlled by adjusting the synthesis conditions. In addition to that, we find also remarkable mechanical properties where molecules can be cut and recombined or deformed without any loss of structural integrity. We demonstrate this by deforming Mo₆S_xI_y nanowires to highly strained configurations without causing irreversible changes to their structures. The rupturing and/or welding process of these nanowires, using AFM manipulation, shows that the molecules stretch to more than 30% of its relaxed configuration before plastic deformation occurs.