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Wyświetlanie 1-2 z 2
Tytuł:
Impact of Values of Diffusion Coefficient on Results of Diffusion Modelling Driven by Chemical Potential Gradien
Autorzy:
Wróbel, Marek
Burbelko, Andriy
Powiązania:
https://bibliotekanauki.pl/articles/2174626.pdf
Data publikacji:
2022
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
foundry industry
application of information technology
diffusion modelling
Calphad method
chemical potential
diffusion coefficient
przemysł odlewniczy
zastosowanie technologii informatycznej
modelowanie dyfuzyjne
metoda Calphad
potencjał chemiczny
współczynnik dyfuzji
Opis:
In the paper critical role of including the right material parameters, as input values for computer modelling, is stressed. The presented model of diffusion, based on chemical potential gradient, in order to perform calculations, requires a parameter called mobility, which can be calculated using the diffusion coefficient. When analysing the diffusion problem, it is a common practice to assume the diffusion coefficient to be a constant within the range of temperature and chemical composition considered. By doing so the calculations are considerably simplified at the cost of the accuracy of the results. In order to make a reasoned decision, whether this simplification is desirable for particular systems and conditions, its impact on the accuracy of calculations needs to be assessed. The paper presents such evaluation by comparing results of modelling with a constant value of diffusion coefficient to results where the dependency of Di on temperature, chemical composition or both are added. The results show how a given deviation of diffusivity is correlated with the change in the final results. Simulations were performed in a single dimension for the FCC phase in Fe-C, Fe-Si and Fe-Mn systems. Different initial compositions and temperature profiles were used.
Źródło:
Archives of Foundry Engineering; 2022, 22, 3; 81--90
1897-3310
2299-2944
Pojawia się w:
Archives of Foundry Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A Diffusion Model of Binary Systems Controlled by Chemical Potential Gradient
Autorzy:
Wróbel, Marek
Burbelko, Andriy
Powiązania:
https://bibliotekanauki.pl/articles/2105206.pdf
Data publikacji:
2022
Wydawca:
Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie. Wydawnictwo AGH
Tematy:
diffusion
modelling
CALPHAD
chemical potential
Opis:
The paper presents a model of diffusion in a single phase with chemical potential gradient as the driving force of the process. Fick’s laws are strictly empirical and the assumption that the concentration gradients are the driving forces of diffusion is far from precise. Instead, the gradient of chemical potential μi of component i is the real driving force. The matter of governing equations of models that incorporate this approach will be raised and discussed in this article. One of more important features is the ability to acquire results where diffusion against the concentration gradient may occur. The presented model uses the Finite Difference Method (FDM) and employs the CALPHAD method to obtain chemical potentials. The calculations of chemical potential are carried out for instant conditions – temperature and composition – in the entire task domain by Thermo-Calc via a TQ-Interface. Then the heterogeneity of chemical potentials is translated into mass transfer for each individual element. Calculations of two modelling tasks for one-dimension diffusion field were carried out. First: isothermal conditions with linear initial composition distribution and second: constant temperature gradient with uniform chemical composition in the specimen. Results for two binary solid solutions: Fe-C and Fe-Si, in the FCC phase for the given tasks will be presented. Modelling allows us to estimate the time needed to reach a desired state in a particular equilibrium or quasi-equilibrium state. It also shows the path of the composition change during the process. This can be used to determine whether the system at some point is getting close to the formation of another phase due to significant deviation from its initial conditions.
Źródło:
Journal of Casting & Materials Engineering; 2022, 6, 2; 39--44
2543-9901
Pojawia się w:
Journal of Casting & Materials Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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