Auto-resolving the atomic structure at van der Waals interfaces using a generative model
文献类型：期刊论文
| 作者 | Huang, Wenqiang; Jin, Yucheng; Li, Zhemin; Yao, Lin; Chen, Yun; Luo, Zheng; Zhou, Shen; Lin JG(林金国); Liu F(刘峰); Gao, Zhifeng |
| 刊名 | NATURE COMMUNICATIONS
 |
| 出版日期 | 2025-03-25 |
| 卷号 | 16期号:1页码:13 |
| DOI | 10.1038/s41467-025-58160-3 |
| 通讯作者 | Yao, Lin(yaol@dp.tech) ; Ouyang, Fangping(oyfp@csu.edu.cn) ; Zhang, Jin(jinzhang@pku.edu.cn) ; Wang, Shanshan(wangshanshan08@nudt.edu.cn) |
| 英文摘要 | The high-resolution visualization of atomic structures is significant for understanding the relationship between the microscopic configurations and macroscopic properties of materials. However, a rapid, accurate, and robust approach to automatically resolve complex patterns in atomic-resolution microscopy remains difficult to implement. Here, we present a Trident strategy-enhanced disentangled representation learning method (a generative model), which utilizes a few unlabelled experimental images with abundant low-cost simulated images to generate a large corpus of annotated simulation data that closely resembles experimental results, producing a high-quality large-volume training dataset. A structural inference model is then trained via a residual neural network which can directly deduce the interlayer slip and rotation of diversified and complicated stacking patterns at van der Waals (vdW) interfaces with picometer-scale accuracy across various materials (e.g. MoS2, WS2, ReS2, ReSe2, and 1 T'-MoTe2) with different layer numbers (bilayer and trilayers), demonstrating robustness to defects, imaging quality, and surface contaminations. The framework can also identify pattern transition interfaces, quantify subtle motif variations, and discriminate moir & eacute; patterns that are difficult to distinguish in frequency domains. Finally, the high-throughput processing ability of our method provides insights into a vdW epitaxy mode where various thermodynamically favorable slip stackings can coexist. |
| 分类号 | 一类 |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; IDENTIFICATION ; DEFECTS |
| 资助项目 | National Natural Science Foundation of China (National Science Foundation of China)[52021006] ; National Natural Science Foundation of China (National Science Foundation of China)[22494464010] ; National Natural Science Foundation of China[YESS20200222] ; Young Elite Scientist Sponsorship Program by CAST[2022JJ20044] ; Hunan Natural Science Foundation[KQTD20221101115627004] ; Shenzhen Science and Technology Innovation Commission Project[ZZCX-ZZGC-01-07] ; National University of Defense Technology[2022YFA1203302] ; National University of Defense Technology[2022YFA1203304] ; National University of Defense Technology[2018YFA0703502] ; Ministry of Science and Technology of China[XDB36030100] ; Strategic Priority Research Program of CAS[BNLMS-CXTD-202001] ; Beijing National Laboratory for Molecular Sciences[KQTD20221101115627004] ; Shenzhen Science and Technology Innovation Commission[2023D01D03] ; Key Project of the Natural Science Program of Xinjiang Uygur Autonomous Region |
| WOS研究方向 | Science & Technology - Other Topics |
| 语种 | 英语 |
| WOS记录号 | WOS:001452497500022 |
| 资助机构 | National Natural Science Foundation of China (National Science Foundation of China) ; National Natural Science Foundation of China ; Young Elite Scientist Sponsorship Program by CAST ; Hunan Natural Science Foundation ; Shenzhen Science and Technology Innovation Commission Project ; National University of Defense Technology ; Ministry of Science and Technology of China ; Strategic Priority Research Program of CAS ; Beijing National Laboratory for Molecular Sciences ; Shenzhen Science and Technology Innovation Commission ; Key Project of the Natural Science Program of Xinjiang Uygur Autonomous Region |
| 其他责任者 | Yao, Lin ; Ouyang, Fangping ; Zhang, Jin ; Wang, Shanshan |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/100840]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 推荐引用方式 GB/T 7714 | Huang, Wenqiang,Jin, Yucheng,Li, Zhemin,et al. Auto-resolving the atomic structure at van der Waals interfaces using a generative model[J]. NATURE COMMUNICATIONS,2025,16(1):13. |
| APA | Huang, Wenqiang.,Jin, Yucheng.,Li, Zhemin.,Yao, Lin.,Chen, Yun.,...&Wang, Shanshan.(2025).Auto-resolving the atomic structure at van der Waals interfaces using a generative model.NATURE COMMUNICATIONS,16(1),13. |
| MLA | Huang, Wenqiang,et al."Auto-resolving the atomic structure at van der Waals interfaces using a generative model".NATURE COMMUNICATIONS 16.1(2025):13. |
入库方式： OAI收割
来源：力学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。