Versatile domain mapping of scanning electron nanobeam diffraction datasets utilising variational autoencoders

作     者：A.Bridger W.I.F.David T.J.Wood M.Danaie K.T.Butler 

作者机构：Inorganic Chemistry LaboratoryUniversity of OxfordOxford OX13QRUK ISIS Neutron and Muon Spallation SourceSTFC Rutherford Appleton LaboratoryOxfordshire OX110QXUK Electron Physical Science Imaging CentreDiamond Light Source Ltd.DidcotUK School of Engineering and Materials ScienceQueen Mary University of LondonMile End RoadLondon E14NSUK 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2023年第9卷第1期

页      面：2213-2230页

核心收录：

学科分类：08[工学] 0835[工学-软件工程] 081202[工学-计算机软件与理论] 0812[工学-计算机科学与技术（可授工学、理学学位）] 

基　　金：We thank Diamond Light Source for access and support in the use of the electron Physical Science Imaging Centre(Instrument E02 and proposal numbers EM19064 and MG28749)that contributed to the results presented here A.B.gratefully acknowledges support from the joint Oxford-Diamond-STFC studentship scheme.T.J.W.and W.I.F.D also acknowledge the Faraday Institution(Grant No.FIRG018)for their funding contributions 

主　　题：mapping beam dosage 

摘      要：Characterisation of structure across the nanometre scale is key to bridging the gap between the local atomic environment and macro-scale and can be achieved by means of scanning electron nanobeam diffraction(SEND).As a technique,SEND allows for a broad range of samples,due to being relatively tolerant of specimen thickness with low electron ***,coupled with the capacity for automation of data collection over wide areas,allows for statistically representative probing of the *** paper outlines a versatile,data-driven approach for producing domain maps,and a statistical approach for assessing their *** workflow utilises a Variational AutoEncoder to identify the sources of variance in the diffraction signal,and this,in combination with clustering techniques,is used to produce domain *** approach is agnostic to domain crystallinity,requires no prior knowledge of crystal structure,and does not require simulation of a library of expected diffraction patterns.