Colloid Journal, volume 82, issue 6, pages 689-695
Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210)
Korolev V. V.
1
,
Mitrofanov A.A.
1
,
Nevolin Yu M
1
,
Krotov V.V.
1
,
Ulyanov D K
1
,
Protsenko P V
1
Publication type: Journal Article
Publication date: 2020-11-25
Journal:
Colloid Journal
Quartile SCImago
Q4
Quartile WOS
Q4
Impact factor: 1.1
ISSN: 1061933X, 16083067
Physical and Theoretical Chemistry
Colloid and Surface Chemistry
Surfaces and Interfaces
Abstract
A method is proposed for the neural network based analysis of the existence and stability of grain boundary complexions formed at high-symmetry tilt boundaries Σ3 (111) and Σ5 (210) in a polycrystalline Ni(Bi) solid solution. This method is based on the use of reference interparticle interaction potentials constructed within the framework of the density functional theory in combination with the structural capabilities of an artificial two-level self-learning neural network. The absolute error in determining potential energy by the neurosystem analysis is 0.012 eV/atom. The values of the formation enthalpy of grain boundary complexions for Σ3 and Σ5 boundaries are in rather good agreement with the published results of simulating this system and experimental data.
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Computational Materials Science
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Computational Materials Science
1 publication, 100%
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Citations by publishers
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Elsevier
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Elsevier
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Korolev V. V. et al. Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210) // Colloid Journal. 2020. Vol. 82. No. 6. pp. 689-695.
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Korolev V. V., Mitrofanov A., Nevolin Yu. M., Krotov V., Ulyanov D. K., Protsenko P. V. Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210) // Colloid Journal. 2020. Vol. 82. No. 6. pp. 689-695.
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TY - JOUR
DO - 10.1134/S1061933X20050105
UR - https://doi.org/10.1134%2FS1061933X20050105
TI - Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210)
T2 - Colloid Journal
AU - Mitrofanov, A.A.
AU - Krotov, V.V.
AU - Ulyanov, D K
AU - Protsenko, P V
AU - Korolev, V. V.
AU - Nevolin, Yu M
PY - 2020
DA - 2020/11/25 00:00:00
PB - Pleiades Publishing
SP - 689-695
IS - 6
VL - 82
SN - 1061-933X
SN - 1608-3067
ER -
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@article{2020_Korolev,
author = {A.A. Mitrofanov and V.V. Krotov and D K Ulyanov and P V Protsenko and V. V. Korolev and Yu M Nevolin},
title = {Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210)},
journal = {Colloid Journal},
year = {2020},
volume = {82},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1134%2FS1061933X20050105},
number = {6},
pages = {689--695},
doi = {10.1134/S1061933X20050105}
}
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Korolev, V. V., et al. “Neural Network Based Modeling of Grain Boundary Complexions Localized in Simple Symmetric Tilt Boundaries Σ3 (111) and Σ5 (210).” Colloid Journal, vol. 82, no. 6, Nov. 2020, pp. 689-695. https://doi.org/10.1134%2FS1061933X20050105.