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浏览/检索结果: 共706条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 First-principles modeling of passivation behaviors of stainless steels in corrosive environments 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 229, 页码: 58-66 作者:  Xu, Wenjing;  Bao, Ergen   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Passivation  Modeling  First-principles calculation  Stainless steel   Spinel inversion-induced magnetic coupling transitions at antiphase boundaries 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 223, 页码: 47-55 作者:  Chen, Shanshan;  Sun, Ziyi;  Jin, Qianqian;  Yan, Xuexi;  Gao, Chunyang   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Antiphase boundary  Cation distribution  Magnetic coupling  Transmission electron microscopy  First-principles calculations   Atomic-scale understanding of the effects of Cr and Ti on γ′ growth kinetics in the Ni-Al-X ternary system: Diffusion couple technique and DFT study 期刊论文  OAI收割 JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2025, 卷号: 35, 页码: 1311-1322 作者:  Gao, Xinyu;  Tian, Yuan;  Wen, Xin;  Qiao, Shichang;  Wang, Fengzhen   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Ni-based alloy  Diffusion couple  Precipitation kinetic  Solid state phase transformation  First-principles   Novel transformation mechanism among precipitates in Mg-Gd alloys 期刊论文  OAI收割 ACTA MATERIALIA, 2025, 卷号: 286, 页码: 10 作者:  Niu, Xue-Shan;  Lv, Ming;  Feng, Yan-Peng;  Wang, Yu-Jia;  Shao, Xiao-Hong   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Mg alloy  First principles  Phase transformation  HAADF-STEM   The Fe-N system: crystal structure prediction, phase stability, and mechanical properties 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 251, 页码: 12 作者:  Bao, Ergen;  Zhao, Jinbin;  Gao, Qiang;  Shahid, Ijaz;  Ma, Hui   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 First-principles  Fe-N compounds  Mechanical properties  Hardness   A first-principles study of band structure modulation at TiO2 heterogeneous interfaces 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 247, 页码: 8 作者:  Li, Shuai;  Li, Peng;  Jiang, Yixiao;  Li, Xiang;  Zhang, Sheng   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 First-principles calculations  Superlattice thickness  Heterogeneous interfaces  Band structures modulation  TiO2   Nb-doped coherent TiO2/LaAlO3 interfaces: Segregation mechanism and improved photocatalytic performance 期刊论文  OAI收割 ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11 作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Coherent interfaces  Elemental doping  Photocatalytic  Transmission electron microscopy  First-principles calculations  TiO2   Nb-doped coherent TiO2/LaAlO3 interfaces: Segregation mechanism and improved photocatalytic performance 期刊论文  OAI收割 ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11 作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Coherent interfaces  Elemental doping  Photocatalytic  Transmission electron microscopy  First-principles calculations  TiO2   Molecular dynamics simulations of the shear and tensile mechanical properties of rare-earth metal erbium based on deep-learning potential 期刊论文  OAI收割 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   |  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   Magnetic-Electrical Synergetic Control of Non-Volatile States in Bilayer Graphene-CrOCl Heterostructures 期刊论文  OAI收割 ADVANCED MATERIALS, 2024, 页码: 9 作者:  Cao, Shimin;  Zheng, Runjie;  Wang, Cong;  Ma, Ning;  Chen, Mantang   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 2D magnets  capacitance measurement  first-principles calculations  graphene  van der Waals heterostructures