Symmetries and modelling functions for diffusion processes

A constructive approach to theory of diffusion processes is proposed, which is based on application of both the symmetry analysis and method of modelling functions. An algorithm for construction of the modelling functions is suggested. This algorithm is based on the error functions expansion (ERFEX) of experimental concentration profiles. The high-accuracy analytical description of the profiles provided by ERFEX approximation allows a convenient extraction of the concentration dependence of diffusivity from experimental data and prediction of the diffusion process. Our analysis is exemplified by its employment to experimental results obtained for surface diffusion of lithium on the molybdenum (112) surface pre-covered with dysprosium. The ERFEX approximation can be directly extended to many other diffusion systems.Comment: 19 pages, 8 figure

A vitrifying structure transition in the Dy/Mo(112) adsorption system

Annealing-driven irreversible structural transitions are studied by low-energy electron diffraction in submonolayer Dy films adsorbed on the Mo(112) surface. In a wide coverage range θ>0.07, Dy overlayers deposited at low temperatures (T≈100 K) are ordered and keep their structure upon annealing up to 350–600 K. Near θ=0.68, the overlayers are stable to high-temperature annealing (Ta=1000 K) as well, whereas the denser films are metastable and transform to more stable ordered structures. An unusual annealing effect is found for θ<0.58: the initially ordered metastable phases are replaced by phases having no extended order, which are assumed to be two-dimensional glasses. © 2001 American Institute of Physics

Memory Effects and Coverage Dependence of Surface Diffusion in a Model Adsorption System

We study the coverage dependence of surface diffusion coefficients for a strongly interacting adsorption system O/W(110) via Monte Carlo simulations of a lattice-gas model. In particular, we consider the nature and emergence of memory effects as contained in the corresponding correlation factors in tracer and collective diffusion. We show that memory effects can be very pronounced deep inside the ordered phases and in regions close to first and second order phase transition boundaries. Particular attention is paid to the details of the time dependence of memory effects. The memory effect in tracer diffusion is found to decay following a power law after an initial transient period. This behavior persists until the hydrodynamic regime is reached, after which the memory effect decays exponentially. The time required to reach the hydrodynamical regime and the related exponential decay is strongly influenced by both the critical effects related to long-wavelength fluctuations and the local order in the overlayer. We also analyze the influence of the memory effects on the effective diffusion barriers extracted from the Arrhenius analysis. For tracer diffusion, we find that the contribution from memory effects can be as large as 50% to the total barrier. For collective diffusion, the role of memory effects is in general less pronounced.Peer reviewe