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Deep-Learning Potential Molecular Dynamics Study on Nanopolycrystalline Al-Er Alloys: Effects of Er Concentration, Grain Boundary Segregation, and Grain Size on Plastic Deformation 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2025, 页码: 12
作者:  Chang, Zhen;  Feng, Li;  Xue, Hong-Tao;  Yang, Yan-Hong;  Ren, Jun-Qiang;  Tang, Fu-Ling;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Molecular dynamics simulations of the shear and tensile mechanical properties of rare-earth metal erbium based on deep-learning potential 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 41, 页码: 11
作者:  Xue, Hong-Tao;  Chang, Zhen;  Li, Juan;  Yang, Yan-Hong;  Ren, Jun-Qiang;  Zhang, Yong;  Tang, Fu-Ling;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Deep-learning potential  Molecular dynamic simulations  First-principles calculations  Rare-earth erbium  Basal/prismatic interfaces  Shear and tensile deformations  
Colossal barocaloric effect in fatty acid methyl esters 期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2024, 页码: 9
作者:  Fu, Diyi;  Su, Xiu;  Wang, Haoyu;  Li, Zhenxing;  Zheng, Qiang;  Shen, Jun;  Li, Bing;  Du, Juan
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study 期刊论文
PHYSICA B-CONDENSED MATTER, 2024, 卷号: 688, 页码: 9
作者:  Yang, Tao;  Yu, Wei-Yuan;  Xue, Hong-Tao;  Yang, Yan-Hong;  Tang, Fu-Ling;  Zhang, Yong;  Ren, Jun-Qiang;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Rare-earth Al alloys  Substitution formation energy  gamma-Al/gamma '-Al3Sc phase interfaces  Interfacial segregation  First-principles calculation  
Deep-learning potential molecular dynamics simulations of the structural and physical properties of rare-earth metal scandium 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 242, 页码: 8
作者:  Xue, Hong-Tao;  Li, Juan;  Chang, Zhen;  Yang, Yan-Hong;  Tang, Fu-Ling;  Zhang, Yong;  Ren, Jun-Qiang;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Deep potential  Molecular dynamics simulations  First-principles calculations  Rare-earth metal Sc  Phase transformation  
A facile preparation of submicro-sized Ti2AlC precursor toward Ti2CTx MXene for lithium storage 期刊论文
ELECTROCHIMICA ACTA, 2022, 卷号: 432, 页码: 9
作者:  Yang, Ling Xu;  Mu, Yong Biao;  Liu, Rui Jia;  Liu, Hui Jun;  Zeng, Lin;  Li, Hong Yi;  Lin, Guang Qiang;  Zeng, Chao Liu;  Fu, Chao
收藏  |  浏览/下载：54/0  |  提交时间：2023/05/09
Ti2AlC  Ti2CTx  Anode material  Modified molten salt method  Lithium-ion batteries  
Progress in ceramic materials and structure design toward advanced thermal barrier coatings 期刊论文
Journal of Advanced Ceramics, 2022, 卷号: 11, 期号: 7
作者:  Wei,Zhi-Yuan;  Meng,Guo-Hui;  Chen,Lin;  Li,Guang-Rong;  Liu,Mei-Jun;  Zhang,Wei-Xu;  Zhao,Li-Na;  Zhang,Qiang;  Zhang,Xiao-Dong;  Wan,Chun-Lei;  Qu,Zhi-Xue;  Chen,Lin;  Feng,Jing;  Liu,Ling;  Dong,Hui;  Bao,Ze-Bin;  Zhao,Xiao-Feng;  Zhang,Xiao-Feng;  Guo,Lei;  Wang,Liang;  Cheng,Bo;  Zhang,Wei-Wei;  Xu,Peng-Yun;  Yang,Guan-Jun;  Cai,Hong-Neng;  Cui,Hong;  Wang,You;  Ye,Fu-Xing;  Ma,Zhuang;  Pan,Wei;  Liu,Min;  Zhou,Ke-Song;  Li,Chang-Jiu
收藏  |  浏览/下载：134/0  |  提交时间：2022/07/14
thermal barrier coatings (TBCs)  ceramic material  degradation and failure  structure design  long lifetime  
Synergistic Effects for Enhanced Catalysis in a Dual Single-Atom Catalyst 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 4, 页码: 1952-1961
作者:  Fu, Junhong;  Dong, Jinhu;  Si, Rui;  Sun, Keju;  Zhang, Junying;  Li, Mingrun;  Yu, Nana;  Zhang, Bingsen;  Humphrey, Mark G.;  Fu, Qiang;  Huang, Jiahui
收藏  |  浏览/下载：138/0  |  提交时间：2021/10/15
bimetallic catalysis  synergistic effects  single-atom catalyst  dual single-atom catalyst  hydrogenation of nitrostyrene  
Preparation of MOF Film/Aerogel Composite Catalysts via Substrate-Seeding Secondary-Growth for the Oxygen Evolution Reaction and CO2 Cycloaddition 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 页码: 6
作者:  Bai, Xiao-Jue;  Lu, Xing-Yu;  Ju, Ran;  Chen, Huan;  Shao, Lei;  Zhai, Xu;  Li, Yu-Nong;  Fan, Fu-Qiang;  Fu, Yu;  Qi, Wei
收藏  |  浏览/下载：158/0  |  提交时间：2021/02/02
aerogels  CO2 cycloaddition  metal–  organic frameworks (MOFs)  OER  thin films  
Preparation of MOF Film/Aerogel Composite Catalysts via Substrate-Seeding Secondary-Growth for the Oxygen Evolution Reaction and CO2 Cycloaddition 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 页码: 6
作者:  Bai, Xiao-Jue;  Lu, Xing-Yu;  Ju, Ran;  Chen, Huan;  Shao, Lei;  Zhai, Xu;  Li, Yu-Nong;  Fan, Fu-Qiang;  Fu, Yu;  Qi, Wei
收藏  |  浏览/下载：156/0  |  提交时间：2021/02/02
aerogels  CO2 cycloaddition  metal–  organic frameworks (MOFs)  OER  thin films