Research output: Contribution to journal › Article › peer-review
Modeling of the ZrO2-SiO2-Al2O3 phase diagram using simulation by the 3D computer model and the NUCLEA database. / Vorob'eva, Vera; Zelenaya, Anna; Lutsyk, Vasily; Vorozhtcov, Viktor; Almjashev, Vyacheslav; Sokolova, Tamara; Stolyarova, Valentina.
In: Materials Science and Engineering: B, Vol. 297, 116790, 01.11.2023.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Modeling of the ZrO2-SiO2-Al2O3 phase diagram using simulation by the 3D computer model and the NUCLEA database
AU - Vorob'eva, Vera
AU - Zelenaya, Anna
AU - Lutsyk, Vasily
AU - Vorozhtcov, Viktor
AU - Almjashev, Vyacheslav
AU - Sokolova, Tamara
AU - Stolyarova, Valentina
N1 - Vorob’eva V.P., Zelenaya A.E., Lutsyk V.I., Vorozhtcov V.A., Almjashev V.I., Sokolova T.V., Stolyarova V.L. Modeling of the ZrO2-SiO2-Al2O3 phase diagram using simulation by the 3D computer model and the NUCLEA database. // Materials Science & Engineering B. 2023. V. 297. P. 116790. doi: 10.1016/j.mseb.2023.116790
PY - 2023/11/1
Y1 - 2023/11/1
N2 - The reliability of modeling of the ZrO2-SiO2-Al2O3 phase diagram up to the temperature 3000 K (melting of ZrO2) was illustrated using simulation by the three-dimensional (3D) computer model in comparison with the results of calculation by the NUCLEA database. For this purpose, the 3D computer model with three polymorphic modifications of ZrO2 and four modifications of SiO2 has been designed. The satisfactory agreement between both approaches as well as experimental studies of the ZrO2-SiO2-Al2O3 phase diagram was demonstrated while considering the features of isothermal sections and isopleths in the system under study.
AB - The reliability of modeling of the ZrO2-SiO2-Al2O3 phase diagram up to the temperature 3000 K (melting of ZrO2) was illustrated using simulation by the three-dimensional (3D) computer model in comparison with the results of calculation by the NUCLEA database. For this purpose, the 3D computer model with three polymorphic modifications of ZrO2 and four modifications of SiO2 has been designed. The satisfactory agreement between both approaches as well as experimental studies of the ZrO2-SiO2-Al2O3 phase diagram was demonstrated while considering the features of isothermal sections and isopleths in the system under study.
KW - Alumina
KW - Computer simulation
KW - Phase diagram
KW - Silica
KW - Zirconia
UR - https://www.mendeley.com/catalogue/dcc58dfa-62f9-3996-881a-8fa8fa60530e/
U2 - 10.1016/j.mseb.2023.116790
DO - 10.1016/j.mseb.2023.116790
M3 - Article
VL - 297
JO - Materials Science and Engineering B
JF - Materials Science and Engineering B
SN - 0921-5107
M1 - 116790
ER -
ID: 108163811