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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
Interface Element Accumulation-Induced Single Ferroelectric Domain for High-Performance Neuromorphic Synapse 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2025, 页码: 12
作者:  Li, Xiaoqi;  Liu, Jiaqi;  Xu, Fan;  Ali, Sajjad;  Wu, Han;  Huang, Biaohong;  Deng, Haoyue;  Li, Yizhuo;  Jiang, Yuxuan;  Fan, Zhen;  Tang, Yunlong;  Wang, Yujia;  Bououdina, Mohamed;  Yang, Teng;  Hu, Weijin;  Zhang, Zhidong
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
BaTiO3  ferroelectric synapse  neuromorphic computing  oxygen vacancy  single domain  Sr diffusion  
Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: Double-edged oxygen vacancy 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2025, 卷号: 68, 页码: 272-281
作者:  Tang, Yuqing;  Chen, Yanjun;  Abid, Aqsa;  Meng, Zichun;  Sun, Xiaoying;  Li, Bo;  Zhao, Zhen
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Propane dehydrogenation  Zirconium oxide  Oxygen vacancy  Density functional theory  Microkinetic  
Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: Double-edged oxygen vacancy 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2025, 卷号: 68, 页码: 272-281
作者:  Tang, Yuqing;  Chen, Yanjun;  Abid, Aqsa;  Meng, Zichun;  Sun, Xiaoying;  Li, Bo;  Zhao, Zhen
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Propane dehydrogenation  Zirconium oxide  Oxygen vacancy  Density functional theory  Microkinetic  
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  
A Roadmap for Ferroelectric-Antiferroelectric Phase Transition 期刊论文
NANO LETTERS, 2024, 卷号: 24, 期号: 37, 页码: 11714-11721
作者:  Jiang, Ru-Jian;  Tang, Yun-Long;  Liu, Su-Zhen;  Zhu, Mei-Xiong;  Li, Changji;  Feng, Yan-Peng;  Gong, Feng-Hui;  Wang, Jing-Hui;  Lv, Xiao-Dong;  Chen, Shuang-Jie;  Wang, Yu-Jia;  Zhu, Yin-Lian;  Ma, Xiu-Liang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
antiferroelectric  lead zirconate  phase transition  oxygen octahedral  atomic-scale  
A Roadmap for Ferroelectric-Antiferroelectric Phase Transition 期刊论文
NANO LETTERS, 2024, 卷号: 24, 期号: 37, 页码: 11714-11721
作者:  Jiang, Ru-Jian;  Tang, Yun-Long;  Liu, Su-Zhen;  Zhu, Mei-Xiong;  Li, Changji;  Feng, Yan-Peng;  Gong, Feng-Hui;  Wang, Jing-Hui;  Lv, Xiao-Dong;  Chen, Shuang-Jie;  Wang, Yu-Jia;  Zhu, Yin-Lian;  Ma, Xiu-Liang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
antiferroelectric  lead zirconate  phase transition  oxygen octahedral  atomic-scale  
A Roadmap for Ferroelectric-Antiferroelectric Phase Transition 期刊论文
NANO LETTERS, 2024, 卷号: 24, 期号: 37, 页码: 11714-11721
作者:  Jiang, Ru-Jian;  Tang, Yun-Long;  Liu, Su-Zhen;  Zhu, Mei-Xiong;  Li, Changji;  Feng, Yan-Peng;  Gong, Feng-Hui;  Wang, Jing-Hui;  Lv, Xiao-Dong;  Chen, Shuang-Jie;  Wang, Yu-Jia;  Zhu, Yin-Lian;  Ma, Xiu-Liang
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
antiferroelectric  lead zirconate  phase transition  oxygen octahedral  atomic-scale  
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  
Large Polarization Near 50 μC/cm2 in a Single Unit Cell Layer SrTiO3 期刊论文
NANO LETTERS, 2024, 卷号: 24, 期号: 14, 页码: 4082-4090
作者:  Wang, Jing-Hui;  Zhu, Mei-Xiong;  Li, Yu-Shu;  Chen, Shuang-Jie;  Gong, Feng-Hui;  Lv, Xiao-Dong;  Jiang, Ru-Jian;  Liu, Su-Zhen;  Li, Changji;  Wang, Yu-Jia;  Tang, Yun-Long;  Zhu, Yin-Lian;  Ma, Xiu-Liang
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
polar SrTiO3  room-temperature polarization  strain engineering  interfacial coupling  atomicscale