scholarly journals Kinetic Modeling of Grain Boundary Diffusion: The Influence of Grain Size and Surface Processes

Materials ◽  
2020 ◽  
Vol 13 (5) ◽  
pp. 1051 ◽  
Author(s):  
Justina Jaseliunaite ◽  
Arvaidas Galdikas
Keyword(s):  
Grain Size ◽  
Grain Boundary ◽  
Diffusion Coefficients ◽  
Boundary Diffusion ◽  
Diffusion Processes ◽  
Error Function ◽  
Grain Boundary Diffusion ◽  
Surface Processes ◽  
Rate Equations ◽  
The Impact

Based on rate equations, the kinetics of atom adsorption, desorption, and diffusion in polycrystalline materials is analyzed in order to understand the influence of grain boundaries and grain size. The boundary conditions of the proposed model correspond with the real situation in the electrolytes of solid oxide hydrogen fuel cells (SOFC). The role of the ratio of grain boundary and grain diffusion coefficients in perpendicular and parallel (to the surface) concentration profiles is investigated. In order to show the influence of absolute values of grain and grain boundary diffusion coefficients, we select four different cases in which one of the diffusion coefficients is kept constant while the others vary. The influence of grain size on diffusion processes is investigated using different geometrical models. The impact of kinetic processes taking place on the surface is analyzed by comparing results obtained assuming the first layer as a constant source and then involving in the model the processes of adsorption and desorption. It is shown that surface processes have a significant influence on the depth distribution of diffusing atoms and cannot be ignored. The analytical function of overall concentration dependence on grain and grain boundary volume ratio (Vg/Vgb) is found. The solution suggests that the concentration increases as a complementary error function while Vg/Vgb decreases.

Mechanistic Two Stage Fission Gas Release Model

2002 ◽  
Author(s):  
Yong-Soo Kim ◽  
Chan-Bok Lee
Keyword(s):  
Grain Boundary ◽  
Diffusion Coefficients ◽  
Boundary Diffusion ◽  
Diffusion Processes ◽  
Lattice Diffusion ◽  
Grain Boundary Diffusion ◽  
Factor Α ◽  
Two Stages ◽  
Grain Surface ◽  
Release Model

In this study, a mechanistic two stages model is developed which analytically simulates the two-step diffusion processes, grain lattice diffusion and grain boundary diffusion, coupled with the bubbles trap/resolution. Mathematical manipulation reveals that the release at high burn-up depend on the ratio of the diffusivities in the both processes, i.e., α ≅ Dveff/Dgbeff where Dveff and Dgbeff are effective volume and grain boundary diffusion coefficients, respectively. Thus, the ratio α is incorporated in the time-dependent third kind boundary condition at the equivalent grain surface. This model brings forth analytical solutions of the fractional release which are identical to that of either ANS5.4 or modified ANS5.4 model when α goes to the infinity. It turns out that this model describes the release behavior well in the high burn-up fuel and puts out a comparable prediction to the solution of FRAPCON-3 model under the same condition. It is also demonstrated that the new factor α not only ease the computational treatment for the high burn-up fuel performance evaluation, but also enables us to possibly separate the burn-up enhancement from the diffusion coefficients and to easily simulate the bubble-related phenomena in the grain boundary.

Intergranular Coupling and Grain Isolation of Thin Co Films

1998 ◽  
Vol 517 ◽  
Author(s):  
Heng Gong ◽  
Wei Yang ◽  
David N. Lambeth ◽  
David E. Laughlin
Keyword(s):  
Grain Boundary ◽  
Thermal Instability ◽  
Boundary Diffusion ◽  
Oxidation Process ◽  
Diffusion Processes ◽  
Narrow Range ◽  
Grain Boundary Diffusion ◽  
Temperature Dependent ◽  
In Situ Diffusion

AbstractThe effects of rapid oxidation and overcoat diffusion processes on the intergranular coupling and grain isolation in thin Co films were studied. The oxidation process was found to be strongly temperature dependent. The optimal coercivities can only be achieved within a narrow range of temperatures, while further increasing the temperature incurs significant thermal instability. CrMn underlayers were confirmed to be more effective in enhancing the grain isolation by the grain boundary diffusion during the oxidation process. The oxidation process does not change the Co anisotropy, and hence the coercivity increase is appears to be a result of better grain isolation. The in-situ diffusion of Ag and Cr overcoats were also found to have siginificant effects on the grain isolation in Co and CoCr films.

Diffusion and solubility of holmium ions in barium titanate ceramics

2004 ◽  
Vol 19 (12) ◽  
pp. 3512-3520 ◽  
Author(s):  
Junichi Itoh ◽  
Hajime Haneda ◽  
Shunichi Hishita ◽  
Isao Sakaguchi ◽  
Naoki Ohashi ◽  
...  
Keyword(s):  
Barium Titanate ◽  
Grain Boundary ◽  
Diffusion Coefficients ◽  
Boundary Diffusion ◽  
Diffusion Mechanism ◽  
Annealed Sample ◽  
Lattice Diffusion ◽  
Grain Boundary Diffusion ◽  
A Site ◽  
Titanate Ceramics

Ho ion solubility and diffusivity were evaluated in barium titanate ceramics in which Ho ions were implanted with an accelerating voltage of 500 keV. The depth profile of the ions was composed of three regions in the post-annealed sample: the first was the precipitation region, the second was a region created by lattice diffusion of Ho ions, and the third was a region created by grain-boundary diffusion. The Ho lattice diffusion characteristics were similar to those of Ni ion diffusion in barium titanate ceramics, and we concluded that the diffusion mechanism was the same as that responsible for Ni ions. The Ho ions diffused through the B-site (Ti-site) and were then exchanged with A-site ions. This mechanism suggests that a small number of Ho ions dissolved in the B-site. Preferential grain-boundary diffusion was also observed. The grain-boundary diffusion coefficients were four to five orders of magnitude larger than the volume diffusion coefficients. The solubility of Ho ions was estimated to be a few thousand parts per million in barium titanate ceramics.

scholarly journals Determination of Grain Boundary Diffusion Coefficients in C-Regime by Hwang-Balluffi Method: Silver Diffusion in Pd

2009 ◽  
Vol 289-292 ◽  
pp. 763-767 ◽  
Author(s):  
Z. Balogh ◽  
Z. Erdélyi ◽  
Dezső L. Beke ◽  
Alain Portavoce ◽  
Christophe Girardeaux ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Diffusion Coefficients ◽  
Boundary Diffusion ◽  
Grain Boundary Diffusion ◽  
Controlled Processes ◽  
Diffusion Controlled ◽  
Arrhenius Function ◽  
Data Points ◽  
Accumulation Kinetics

Diffusion controlled processes play a crucial role in the degradation of technical materials. At low temperatures the most significant of them is the diffusion along grain boundaries. In thin film geometry one of the best methods for determining the grain boundary (GB) diffusion coefficient of an impurity element is the Hwang-Balluffi method, in which a surface sensitive technique is used to follow the surface accumulation kinetics. Results of grain boundary diffusion measurements, carried out in our laboratory by this method in three different materials systems (Ag/Pd, Ag/Cu and Au/Ni) are reviewed. In case of Ag diffusion along Pd GBs the surface accumulation was followed by AES method. The data points can be well fitted by an Arrhenius function with an activation energy Q=0.99eV

Zinc Self-Diffusion in ZnO

2005 ◽  
Vol 237-240 ◽  
pp. 163-168 ◽  
Author(s):  
M.A.N. Nogueira ◽  
Antônio Claret Soares Sabioni ◽  
Wilmar Barbosa Ferraz
Keyword(s):  
Diffusion Coefficient ◽  
Grain Boundary ◽  
Diffusion Coefficients ◽  
Boundary Diffusion ◽  
Volume Diffusion ◽  
Grain Boundary Diffusion ◽  
Polished Surface ◽  
Self Diffusion ◽  
Zinc Diffusion ◽  
Diffusion Profiles

This work deals with the study of zinc self-diffusion in ZnO polycrystal of high density and of high purity. The diffusion experiments were performed using the 65Zn radioactive isotope as zinc tracer. A thin film of the tracer was deposited on the polished surface of the samples, and then the diffusion annealings were performed from 1006 to 1377oC, in oxygen atmosphere. After the diffusion treatment, the 65Zn diffusion profiles were established by means of the Residual Activity Method. From the zinc diffusion profiles were deduced the volume diffusion coefficient and the product dDgb for the grain-boundary diffusion, where d is the grain-boundary width and Dgb is the grain-boundary diffusion coefficient. The results obtained for the volume diffusion coefficient show good agreement with the most recent results obtained in ZnO single crystals using stable tracer and depth profiling by secondary ion mass spectrometry, while for the grain-boundary diffusion there is no data published by other authors for comparison with our results. The zinc grain-boundary diffusion coefficients are ca. 4 orders of magnitude greater than the volume diffusion coefficients, in the same experimental conditions, which means that grain-boundary is a fast path for zinc diffusion in polycrystalline ZnO.

Analysis of Creep Deformation Due to Grain-Boundary Diffusion/Sliding

2007 ◽  
Vol 345-346 ◽  
pp. 565-568
Author(s):  
Byung Nam Kim ◽  
Keijiro Hiraga ◽  
Koji Morita ◽  
Hidehiro Yoshida
Keyword(s):  
Grain Size ◽  
Creep Rate ◽  
Grain Boundary ◽  
Boundary Diffusion ◽  
Effective Diffusion ◽  
High Viscosity ◽  
Grain Boundary Sliding ◽  
Grain Boundary Diffusion ◽  
Grain Sizes ◽  
Boundary Sliding

For steady-state deformation caused by grain-boundary diffusion and viscous grain-boundary sliding, the creep rate of regular polyhedral grains is analyzed by the energy-balance method. For the microstructure, the grain-grain interaction increases the degree of symmetry of diffusional field, resulting in a decrease of the effective diffusion distance. Meanwhile, the viscous grain-boundary sliding is found to decrease the creep rate. The present analysis reveals that the grain-size exponent is dependent on the grain size and the grain-boundary viscosity: the exponent becomes unity for small grain sizes and/or high viscosity, while it is three for large grain sizes and/or low viscosity.

Low-Temperature Grain Boundary Diffusion Data Measured from Historical Artifacts

2004 ◽  
Vol 852 ◽  
Author(s):  
R.J. Kremer ◽  
M.A. Dayananda ◽  
A.H. King
Keyword(s):  
Low Temperature ◽  
Grain Boundary ◽  
Room Temperature ◽  
Boundary Diffusion ◽  
Diffusion Processes ◽  
Grain Boundary Diffusion ◽  
Accelerated Tests ◽  
Temperature Diffusion ◽  
Diffusion Profiles

ABSTRACTDiffusion processes in typical metals are slow at room temperature but there are many applications for which very long-term use is envisaged and stability needs to be assured over a timescale of 10, 000 years, where even slow processes can be important. It is common to perform accelerated tests at higher temperatures and extrapolate the necessary information from the measurements so obtained. We have tested the validity of this type of extrapolation for room-temperature, grain boundary diffusion in the copper-silver system, by measuring low-temperature diffusion profiles in antique samples of Sheffield plate.

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