Reducing molecular simulation time for AFM images based on super-resolution methods.

Reducing molecular simulation time for AFM images based on super-resolution methods.
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基于超分辨率方法减少 AFM 图像的分子模拟时间

DOI:
10.3762/bjnano.12.61
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发表时间:
2021
影响因子:
3.1
通讯作者:
Xu Z
Xu Z
中科院分区:
材料科学3区
文献类型:
--
作者:
Dou Z;Qian J;Li Y;Lin R;Wang J;Cheng P;Xu Z

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Atomic force microscopy (AFM) has been an important tool for nanoscale imaging and characterization with atomic and subatomic resolution. Theoretical investigations are getting highly important for the interpretation of AFM images. Researchers have used molecular simulation to examine the AFM imaging mechanism. With a recent flurry of researches applying machine learning to AFM, AFM images obtained from molecular simulation have also been used as training data. However, the simulation is incredibly time consuming. In this paper, we apply super-resolution methods, including compressed sensing and deep learning methods, to reconstruct simulated images and to reduce simulation time. Several molecular simulation energy maps under different conditions are presented to demonstrate the performance of reconstruction algorithms. Through the analysis of reconstructed results, we find that both presented algorithms could complete the reconstruction with good quality and greatly reduce simulation time. Moreover, the super-resolution methods can be used to speed up the generation of training data and vary simulation resolution for AFM machine learning.
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