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The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations

Multiphase Al2O3 samples are simulated using molecular dynamics method. These samples consist of γ-Al2O3 and α-Al2O3 crystals embedded in a disordered phase matrix. The stress–strain curves of these samples show elastic and plastic deformation. Structural analysis indicates that the AlO bond length...

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Tác giả chính:	Vinh, Van Le, Dinh, Thi Hinh, Thao, T. Nguyen, Ha, Thi Thanh Nguyen
Định dạng:	Bài trích
Ngôn ngữ:	English
Nhà xuất bản:	John Wiley & Sons 2022
Chủ đề:	Multiphase Al2O3 Molecular Dynamics Simulations
Truy cập trực tuyến:	https://doi.org/10.1002/pssb.202100657 https://dlib.phenikaa-uni.edu.vn/handle/PNK/5747 https://doi.org/10.1002/pssb.202100657
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spelling	oai:localhost:PNK-57472022-08-17T05:54:52Z The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations Vinh, Van Le Dinh, Thi Hinh Thao, T. Nguyen Ha, Thi Thanh Nguyen Multiphase Al2O3 Molecular Dynamics Simulations Multiphase Al2O3 samples are simulated using molecular dynamics method. These samples consist of γ-Al2O3 and α-Al2O3 crystals embedded in a disordered phase matrix. The stress–strain curves of these samples show elastic and plastic deformation. Structural analysis indicates that the AlO bond lengths are stretched and the geometries of the AlOx (x = 4, 5, and 6) units are distorted during tensile deformation. AlO bond breakage causes the transformation of AlOx units; AlO4 increases while AlO6 decreases with increasing strain. The γ-Al2O3 and α-Al2O3 crystals transfer into the disordered phase, while a small number of atoms recrystallize under tensile loads. In plastic deformation, large simplexes with radii above 1.958 Å increase rapidly with increasing strains above 0.116, with the large simplexes coalescing to form the clusters in the disordered phase. The number of large simplexes in the largest cluster increases with increasing strain values above 0.127. The growth and coalescence of large simplexes in the disordered phase cause microscopic crack formation at high strains 2022-05-05T07:26:17Z 2022-05-05T07:26:17Z 2022 Bài trích https://doi.org/10.1002/pssb.202100657 https://dlib.phenikaa-uni.edu.vn/handle/PNK/5747 https://doi.org/10.1002/pssb.202100657 en John Wiley & Sons
institution	Digital Phenikaa
collection	Digital Phenikaa
language	English
topic	Multiphase Al2O3 Molecular Dynamics Simulations
spellingShingle	Multiphase Al2O3 Molecular Dynamics Simulations Vinh, Van Le Dinh, Thi Hinh Thao, T. Nguyen Ha, Thi Thanh Nguyen The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
description	Multiphase Al2O3 samples are simulated using molecular dynamics method. These samples consist of γ-Al2O3 and α-Al2O3 crystals embedded in a disordered phase matrix. The stress–strain curves of these samples show elastic and plastic deformation. Structural analysis indicates that the AlO bond lengths are stretched and the geometries of the AlOx (x = 4, 5, and 6) units are distorted during tensile deformation. AlO bond breakage causes the transformation of AlOx units; AlO4 increases while AlO6 decreases with increasing strain. The γ-Al2O3 and α-Al2O3 crystals transfer into the disordered phase, while a small number of atoms recrystallize under tensile loads. In plastic deformation, large simplexes with radii above 1.958 Å increase rapidly with increasing strains above 0.116, with the large simplexes coalescing to form the clusters in the disordered phase. The number of large simplexes in the largest cluster increases with increasing strain values above 0.127. The growth and coalescence of large simplexes in the disordered phase cause microscopic crack formation at high strains
format	Bài trích
author	Vinh, Van Le Dinh, Thi Hinh Thao, T. Nguyen Ha, Thi Thanh Nguyen
author_facet	Vinh, Van Le Dinh, Thi Hinh Thao, T. Nguyen Ha, Thi Thanh Nguyen
author_sort	Vinh, Van Le
title	The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
title_short	The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
title_full	The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
title_fullStr	The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
title_full_unstemmed	The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
title_sort	tensile deformation of multiphase al2o3: insights from molecular dynamics simulations
publisher	John Wiley & Sons
publishDate	2022
url	https://doi.org/10.1002/pssb.202100657 https://dlib.phenikaa-uni.edu.vn/handle/PNK/5747 https://doi.org/10.1002/pssb.202100657
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score	8.887929

The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations

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