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Convolutional neural network-assisted recognition of nanoscale L1_(2) ordered structures in face-centred cubic alloys 被引量:1

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摘要 Nanoscale L12-type ordered structures are widely used in face-centered cubic(FCC)alloys to exploit their hardening capacity and thereby improve mechanical properties.These fine-scale particles are typically fully coherent with matrix with the same atomic configuration disregarding chemical species,which makes them challenging to be characterized.Spatial distribution maps(SDMs)are used to probe local order by interrogating the three-dimensional(3D)distribution of atoms within reconstructed atom probe tomography(APT)data.However,it is almost impossible to manually analyze the complete point cloud(>10 million)in search for the partial crystallographic information retained within the data.Here,we proposed an intelligent L1_(2)-ordered structure recognition method based on convolutional neural networks(CNNs).The SDMs of a simulated L1_(2)-ordered structure and the FCC matrix were firstly generated.These simulated images combined with a small amount of experimental data were used to train a CNN-based L1_(2)-ordered structure recognition model.Finally,the approach was successfully applied to reveal the 3D distribution of L1_(2)–typeδ′–Al3(LiMg)nanoparticles with an average radius of 2.54 nm in a FCC Al-Li-Mg system.The minimum radius of detectable nanodomain is even down to 5Å.The proposed CNN-APT method is promising to be extended to recognize other nanoscale ordered structures and even more-challenging short-range ordered phenomena in the near future.
出处 《npj Computational Materials》 SCIE EI CSCD 2021年第1期60-68,共9页 计算材料学(英文)
关键词 ALLOYS ORDERED CUBIC
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