Papers by Keyword: Surface Diffusion

Abstract: The kinetics of growth and lateral spreading of intermetallic layers during surface interdiffusion in Cu – Sn system has been studied in a temperature range 160 – 200oC by the methods of optical microscopy, SEM provided with X-ray microprobe, and AFM. Lateral phase spreading over the surface is characterized by competition between two phases: Cu6Sn5 and Cu3Sn. A steady state solution for concentration distribution on the surface of growing intermetallic phases, as well as kinetic equations of lateral spreading of growing phase layers have been obtained. By comparison of experimental data on intermetallic growth kinetics with the proposed theory, the dynamic surface diffusion coefficients have been calculated.

Abstract: A kinetic Monte Carlo (KMC) model for surface diffusion on a 2D lattice is proposed. An equivalent continuum cellular automaton (CA) model is derived from this. These models are shown to produce similar results at high temperatures. A hybrid KMC-CA model is derived which consistently allows material to transfer between a deterministic CA model and a stochastic KMC model concurrently embedded within it. The quality of the model is demonstrated by simulating the flattening of a sinusoidal surface profile and the evolution of an elliptical body into a circular one.

Abstract: We considered a polycrystalline cylindrical nanowire with bamboo microstructure strained uniaxially by an external load. Our molecular dynamic computer simulations demonstrated that grain boundary grooving plays an important role in determining the morphological stability of nanowires. Also, an exceptionally high yield stress of nanowires emphasizes the importance of diffusion in their plastic deformation under applied load. We formulated a phenomenological diffusion-based model describing morphological stability and diffusion-controlled deformation behaviour of polycrystalline nanowires. The kinetics of the shape changes was calculated numerically.

Abstract: Porous silicon (PS) layers with porosity of 60% on n-type (111) Si substrates were prepared by anodic etching under the white illumination. Metal (Cu, Ag or Au)/PS/Si and metal (Cu, Ag or Au)/Si structures have been fabricated by evaporation of thin metal film onto the PS or Si surface, respectively. The diffusion annealing of structures was carried out in air at 100-250oC. Examination of Cu, Ag and Au concentration distribution in PS layer and monocrystalline Si substrate was performed by successive removal of thin layers from sample and measuring the energy dispersive X-ray fluorescence (EDXRF) intensity of CuKα1, AgKα1 and AuLβ1 peak. The effective diffusion coefficients for investigated metals along PS surfaces decrease in series Cu, Ag and Au and temperature dependences are described as D(Cu)=7.8 exp(-0.62eV/kT), D(Ag)=4.2x10 exp(-0.72eV/kT) and D(Au)=1.2x102 exp(-0.81eV/kT). Diffusion coefficients of Cu, Ag and Au along PS surfaces are larger (by a factor of 104-105) than those into monocrystalline Si. The diffusion mechanism of Cu, Ag and Au along PS surfaces is discussed and data on influence of diffusion of these metals on humidity-sensitive characteristics of metal(Cu, Ag or Au)/PS Schottky type gas sensors is also presented. Diffusion of metals of I group in PS is accompanied by increase of humidity-sensitivity of metal/PS structures by a factor of 1.2-1.4.

Abstract: Using the ab initio pseudopotential calculations, the surface diffusion and incorporation process at the interface of Fe-Al multilayer system were quantitatively investigated. The hollow site was most stable adsorption site on both Al (001) and Fe (001) surface. The adsorption energies were 8.62 eV for Fe/Al (001) and 5.30 eV for Al/Fe (001) system. The calculated energy barriers for the surface diffusion of adatom were 0.89 eV and 0.61 eV for each system. The energy barrier for the incorporation of Fe adatom into the Al substrate was calculated to be 0.38 eV and the energy gain of the system was 0.49 eV. However, the Al adatom required relatively large energy barrier, 0.99 eV for the incorporation into the Fe substrate resulting in 0.13 eV increase in total energy of the system.

Abstract: We considered a polycrystalline cylindrical wire of the initial radius R0 composed of identical cylindrical grains of the length L0, strained uniaxially by an external stress P. At the temperatures at which some surface and grain boundary diffusion are allowed the thinning of the nanowire in the vicinity of grain boundaries occurs due to the phenomenon of grain boundary grooving. We calculated the equilibrium shapes of the nanowire achieved after long annealing times. Our calculations demonstrated that for any given L0/R0 ratio some critical value of the applied stress exists above which the nanowire is unstable and breaks down into the string of isolated spherical particles, in full analogy with the Rayleigh instability of long cylinders. The kinetics of the shape change was calculated numerically. It was shown that the rate of thinning of unstable wires diverges as the moment of breakdown is approached. We also demonstrated that the breakdown may occur even for nominally stable wires “on the way” to achieving their equilibrium shape. Therefore, the stability of nanowire is determined by a combination of geometric (L0/R0), thermodynamic (grain boundary energy), and kinetic (ratio of grain boundary and surface diffusivities) parameters. An application of external tensile stress accelerates the breakdown of nanowires.

Abstract: Mechanical properties of interphase boundaries (IB), stability of defects and microstructure in heavily deformed binary eutectics (Al-Sn, Zn-Sn, Pb-Sn, Cd-Sn, Bi-Sn) have been investigated at room temperature. Experiments were carried out on atomically clean surfaces of alloys and on bimetallic joints with clean interface. It has been shown that after severe deformation the phases are strengthened and relaxation processes occur mainly on the boundaries in all eutectics. For superplastic eutectics with low interphase boundary energy the intensive development of the diffusion – controlled processes of self- healing, sintering, segregation and enveloping were observed. These diffusion processes, directed to restoration of a contact, are the reason of softening of interphase boundaries and superplastic viscous flow. It has been shown that for the eutectics with high IB energy (Al−Sn, Zn−Sn) the interphase boundary sliding leads to the formation of narrow IB cracks with sharp angles. Diffusion healing of micropores and cracks on these IB does not develop at room temperature and deformation defects are stable. Such deformed structure of IB defines low temperature brittleness of Zn-Sn, Al-Sn eutectics and hydrogen brittleness of Al-Sn.

Abstract: It was shown that external magnetic field of 5 kOe slows down the kinetics of grain boundary grooving in iron at 750 °C by about one order of magnitude. This observation is discussed in terms of magnetic effect in surface diffusion.