Deep Bayesian local crystallography
文献类型：期刊论文
| 作者 | Kalinin, Sergei, V; Oxley, Mark P.; Valleti, Mani; Zhang, Junjie; Hermann, Raphael P.; Zheng, Hong; Zhang, Wenrui; Eres, Gyula; Vasudevan, Rama K.; Ziatdinov, Maxim |
| 刊名 | NPJ COMPUTATIONAL MATERIALS
 |
| 出版日期 | 2021 |
| 卷号 | 7期号:1 |
| 关键词 | ELECTRON-MICROSCOPY IMAGES GEOMETRIC PHASE-ANALYSIS CHEMICAL-IDENTIFICATION MACROSCOPIC SYMMETRY MAGNETIC-PROPERTIES UNIT-CELL RESOLUTION CRYSTALS GLASSES PHYSICS |
| 英文摘要 | The advent of high-resolution electron and scanning probe microscopy imaging has opened the floodgates for acquiring atomically resolved images of bulk materials, 2D materials, and surfaces. This plethora of data contains an immense volume of information on materials structures, structural distortions, and physical functionalities. Harnessing this knowledge regarding local physical phenomena necessitates the development of the mathematical frameworks for extraction of relevant information. However, the analysis of atomically resolved images is often based on the adaptation of concepts from macroscopic physics, notably translational and point group symmetries and symmetry lowering phenomena. Here, we explore the bottom-up definition of structural units and symmetry in atomically resolved data using a Bayesian framework. We demonstrate the need for a Bayesian definition of symmetry using a simple toy model and demonstrate how this definition can be extended to the experimental data using deep learning networks in a Bayesian setting, namely rotationally invariant variational autoencoders. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21319]  |
| 专题 | 2021专题_期刊论文 |
| 作者单位 | Kalinin, SV (corresponding author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. |
| 推荐引用方式 GB/T 7714 | Kalinin, Sergei, V,Oxley, Mark P.,Valleti, Mani,et al. Deep Bayesian local crystallography[J]. NPJ COMPUTATIONAL MATERIALS,2021,7(1). |
| APA | Kalinin, Sergei, V.,Oxley, Mark P..,Valleti, Mani.,Zhang, Junjie.,Hermann, Raphael P..,...&Ziatdinov, Maxim.(2021).Deep Bayesian local crystallography.NPJ COMPUTATIONAL MATERIALS,7(1). |
| MLA | Kalinin, Sergei, V,et al."Deep Bayesian local crystallography".NPJ COMPUTATIONAL MATERIALS 7.1(2021). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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