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Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties

Zijun Qi, Xiang Sun, Zhanpeng Sun, Qijun Wang, Dongliang Zhang, Kang Liang, Rui Li, Diwei Zou, Lijie Li Orcid Logo, Gai Wu Orcid Logo, Wei Shen, Sheng Liu Orcid Logo

ACS Applied Materials & Interfaces, Volume: 16, Issue: 21, Pages: 27998 - 28007

Swansea University Author: Lijie Li Orcid Logo

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DOI (Published version): 10.1021/acsami.4c06055

Published in: ACS Applied Materials & Interfaces
ISSN: 1944-8244 1944-8252
Published: American Chemical Society (ACS) 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa68007
first_indexed 2024-10-17T11:37:30Z
last_indexed 2025-01-09T20:32:22Z
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spelling 2024-12-19T15:38:28.6836808 v2 68007 2024-10-17 Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2024-10-17 ACEM Journal Article ACS Applied Materials &amp; Interfaces 16 21 27998 28007 American Chemical Society (ACS) 1944-8244 1944-8252 AlN/diamond heterostructure; neuroevolution machine learning potential; molecular dynamics; interfacial mechanical property; interfacial structure optimization 29 5 2024 2024-05-29 10.1021/acsami.4c06055 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University This work was funded by the National Natural Science Foundation of China (Grant Nos. 52202045 and 62004141), the Knowledge Innovation Program of Wuhan-Shuguang (Grant Nos. 2023010201020243 and 2023010201020255), the Fundamental Research Funds for the Central Universities (Grant Nos. 2042023kf0112 and 2042022kf1028), the Major Program (JD) of Hubei Province (Grant No. 2023BAA009), the Hubei Natural Science Foundation (Grant No. 2022CFB606), the Open Fund of Hubei Key Laboratory of Electronic Manufacturing and Packaging Integration (Wuhan University) (Grant Nos. EMPI2024014 and EMPI2023027), and the China Scholarship Council (Grant No. 202206275005). The numerical calculations in this paper have been done on the supercomputing system in the Supercomputing Center of Wuhan University. 2024-12-19T15:38:28.6836808 2024-10-17T12:27:43.5075557 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Zijun Qi 1 Xiang Sun 2 Zhanpeng Sun 3 Qijun Wang 4 Dongliang Zhang 5 Kang Liang 6 Rui Li 7 Diwei Zou 8 Lijie Li 0000-0003-4630-7692 9 Gai Wu 0000-0002-9726-6328 10 Wei Shen 11 Sheng Liu 0000-0001-6033-078x 12
title Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
spellingShingle Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
Lijie Li
title_short Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
title_full Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
title_fullStr Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
title_full_unstemmed Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
title_sort Interfacial Optimization for AlN/Diamond Heterostructures via Machine Learning Potential Molecular Dynamics Investigation of the Mechanical Properties
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Zijun Qi
Xiang Sun
Zhanpeng Sun
Qijun Wang
Dongliang Zhang
Kang Liang
Rui Li
Diwei Zou
Lijie Li
Gai Wu
Wei Shen
Sheng Liu
format Journal article
container_title ACS Applied Materials &amp; Interfaces
container_volume 16
container_issue 21
container_start_page 27998
publishDate 2024
institution Swansea University
issn 1944-8244
1944-8252
doi_str_mv 10.1021/acsami.4c06055
publisher American Chemical Society (ACS)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 0
active_str 0
published_date 2024-05-29T14:36:43Z
_version_ 1822413138014765056
score 11.053652

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