Search results for "Diffusion"
showing 10 items of 1615 documents
Spinodal decomposition of a two-dimensional model alloy with mobile vacancies
1991
Abstract Monte Carlo simulations are performed for the initial stages of phase separation in a model binary alloy (AB), where unmixing is caused by a repulsive energy between atoms of different kind ( e AA = e BB = e ), and a small fraction c v of mobile vacancies is present (typically c v = 0.04.) Unlike previous work, where interdiffusion was modelled in an unrealistic way by direct interchange of A and B atoms for c v = 0, were use the vacancy mechanism of diffusion: A-atoms may jump to vacant sites with a rate Γ A and B-atoms may jump to vacant sites with a rate Γ B , no direct A–B interchange being permitted. It is shown that the overall time-scale on which phase separation proceeds ty…
Comparison of 2D versus 3D diffusion analysis at Nanowire Electrodes: Finite element analysis and experimental study
2021
In electroanalysis, finite element simulations of electrochemical processes occurring at electrodes are used to provide key insight into experimental design in relation to diffusion profiles and expected currents. The diffusion domain approach (DDA) offers a means of reducing a three dimensional design to two dimensions to ease computational demands. However, the DDA approach can be limited when basic assumptions, for example that all electrodes in an array are equivalent, are incorrect. Consequently, to get a more realistic view of molecular diffusion to nanoelectrodes, it is necessary to undertake simulations in 3D. In this work, two and three dimensional models of electrodes comprising o…
Characteristics of the polymer transport in ratchet systems
2010
Molecules with complex internal structure in time-dependent periodic potentials are studied by using short Rubinstein-Duke model polymers as an example. We extend our earlier work on transport in stochastically varying potentials to cover also deterministic potential switching mechanisms, energetic efficiency and non-uniform charge distributions. We also use currents in the non-equilibrium steady state to identify the dominating mechanisms that lead to polymer transportation and analyze the evolution of the macroscopic state (e.g., total and head-to-head lengths) of the polymers. Several numerical methods are used to solve the master equations and nonlinear optimization problems. The domina…
Determination of limiting current density and current efficiency in electrodialysis units
2018
Abstract A crucial parameter for the design and operation of electrodialysis (ED) units is the limiting current density (LCD). This is often identified with the diffusion-limited current density, which corresponds to the complete solute depletion in the layer adjacent to the membrane. Current-voltage curves obtained from measurements with electrodes in contact with the solution (i.e. without membranes) are consistent with this interpretation and exhibit a horizontal plateau identifying LCD. However, real ED systems show more complex behaviours, with a reduced-slope tract instead of a plateau and a third region in which the current increases more markedly (overlimiting current). The phenomen…
Gelchromatographische refraktionierung, molekulargewichtsabhängigkeit der axialen dispersionsfunktion
1979
The knowledge of axial dispersion is necessary for the determination of molecular weight distributions from gel permeation chromatograms. This work deals with the determination of the axial dispersion function and its dependence on the molecular weight using refractionation method. The results of a number of fractionated and unfractionated samples of polystyrene reveal that peak dispersion in GPC arises mainly from diffusion in the stationary phase on the basis of the theoretical expression proposed by Kubin.
Buildup and structure of theInSe∕Ptinterface studied by angle-resolved photoemission and x-ray absorption spectroscopy
2006
The atomic structure and the electronic nature of the $\mathrm{In}\mathrm{Se}∕\mathrm{Pt}$ interface have been studied by x-ray absorption spectroscopy and angle-resolved photoemission, respectively. By these measurements, it has been found that Pt atoms equally incorporate into two trigonal-prismatic intralayer positions existing within the InSe layer, although, at low Pt coverage, Pt atoms seem to prefer one of these sites, where they have a lower interaction with Se atoms. The atomic structure of the $\mathrm{In}\mathrm{Se}∕\mathrm{Pt}$ interface appears to determine its electronic behavior as Pt deposition increases. At initial stages of Pt diffusion, isolated Pt atoms act as a surface …
A structural comparison of halloysite nanotubes of different origin by Small-Angle Neutron Scattering (SANS) and Electric Birefringence
2018
The structure of halloysite nanotubes (Hal) from different mines was investigated by Small-Angle Neutron Scattering (SANS) and Electric Birefringence (EBR) experiments. The analysis of the SANS curves allowed us to correlate the sizes and polydispersity and the specific surfaces (obtained by a Porod analysis of the SANS data) of the nanotubes with their specific geological setting. Contrast matching measurements were performed on patch Hal (from Western Australia) in order to determine their experimental scattering length density for a more precise analysis. Further characterization of the mesoscopic structure of Hal was carried out by Electric Birefringence (EBR), which allowed to study th…
Computational Modeling of Protein Dynamics in Eukaryotic Cells
2012
Proteins have important functions inside the cell, traveling diffusively or being actively transported to various cellular sites where their activity is needed. Protein motion in the cellular environment is therefore an important topic to understand. However, the cell provides a very complex environment for that motion, which poses problems especially for any modeling effort designed to interpret experimentally observed features. So as to gain a realistic picture of protein dynamics inside the cell, we have recently introduced advanced numerical methods for describing that dynamics [1]. The starting point is an accurate numerical duplicate of the cell determined by LSCM, which can be used a…
Micromechanical approach of the high temperature oxidation of zirconium: study of the Zr/ZrO2 interfacial epitaxy with Bollmann's method
1997
The method of Bollmann has been used to determine the role of epitaxy in the formation of the mechanical stress field near the metal/oxide interface during the high temperature oxidation of zirconium. The strains due to epitaxy combine with those due to both oxygen diffusion in metal and thermal expansion of the metal/oxide composite in a model based on a micromechanical formalism. The calculated values are compared to experimental results and the applicability of Bollmann's method to this problem is discussed.
Coupling between Diffusion, Stress Field and Chemical Reaction in a Metal-Gas Oxidation
2000
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