Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Self-Diffusion Coefficients of Components in Liquid Binary Alloys of Noble Metals
AU - Dubinin, Nikolay
AU - Ryltsev, Roman
N1 - This study was funded by the Russian Science Foundation, Grant № 22-22-00506, https://rscf.ru/project/22-22-00506/ (accessed on 11 January 2021).
PY - 2022
Y1 - 2022
N2 - An accurate determination of transport coefficients in liquids, such as diffusivity, is crucial for studying fundamental chemical processes, for constructing and verifying model theories of liquid, and for the optimization of technological processes. However, a reliable experimental determination of the diffusivity is a difficult and sometimes nearly impossible task. In this regard, the development of model theories that allow calculating characteristics of atomic transport is of special interest. Here, the concentration dependencies of the self-diffusion coefficients of the components in Cu-Ag, Cu-Au, and Ag-Au liquid alloys at T = 1423 K and T = 1573 K are calculated in the framework of the linear trajectory approximation in conjunction with the square-well model and the semi-analytical representation of the mean spherical approximation. We reveal that peculiarities in the behavior of the obtained dependencies are related to the peculiarities of the phase diagrams of the alloys under consideration. Additionally, we verify our calculation method on Al80-Cu20 and Al80-Au20 liquid alloys. The results obtained are in good agreement with available experimental and molecular-dynamic simulation data. In the cases when the experimental information is not available, the presented results can be considered as predictive to estimate the quantities under consideration approximately. © 2022 by the authors.
AB - An accurate determination of transport coefficients in liquids, such as diffusivity, is crucial for studying fundamental chemical processes, for constructing and verifying model theories of liquid, and for the optimization of technological processes. However, a reliable experimental determination of the diffusivity is a difficult and sometimes nearly impossible task. In this regard, the development of model theories that allow calculating characteristics of atomic transport is of special interest. Here, the concentration dependencies of the self-diffusion coefficients of the components in Cu-Ag, Cu-Au, and Ag-Au liquid alloys at T = 1423 K and T = 1573 K are calculated in the framework of the linear trajectory approximation in conjunction with the square-well model and the semi-analytical representation of the mean spherical approximation. We reveal that peculiarities in the behavior of the obtained dependencies are related to the peculiarities of the phase diagrams of the alloys under consideration. Additionally, we verify our calculation method on Al80-Cu20 and Al80-Au20 liquid alloys. The results obtained are in good agreement with available experimental and molecular-dynamic simulation data. In the cases when the experimental information is not available, the presented results can be considered as predictive to estimate the quantities under consideration approximately. © 2022 by the authors.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85144860116
UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000902983000001
U2 - 10.3390/met12122167
DO - 10.3390/met12122167
M3 - Article
VL - 12
JO - Metals
JF - Metals
SN - 2075-4701
IS - 12
M1 - 2167
ER -
ID: 33220835