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Modeling extensive defects in metals through classical potential-guided sampling and automated configuration reconstruction
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作者 Fei Shuang Kai Liu +3 位作者 Yucheng Ji Wei Gao Luca Laurenti Poulumi Dey 《npj Computational Materials》 2025年第1期1295-1306,共12页
Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals,and accurate modeling these extensive defects is crucial to elucidate their deformation mechanisms.However,existing m... Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals,and accurate modeling these extensive defects is crucial to elucidate their deformation mechanisms.However,existing machine learning interatomic potentials(MLIPs)often fall short in adequately describing these defects,as their large characteristic scales exceed the computational limits of firstprinciples calculations.To address this challenge,wepresent acomputational frameworkcombining a defect genome constructed via empirical interatomic potential-guided sampling,with an automated reconstruction technique that enables accurate first-principles modeling of general defects by converting atomic clusters into periodic configurations.The effectiveness of this approach was validated through simulations of nanoindentation,tensile deformation,and fracture in BCC tungsten.This framework enhances the modeling accuracy of extended defects in crystalline materials and provides a robust foundation for advancing MLIP development by leveraging defect genomes strategically. 展开更多
关键词 machine learning interatomic potentials mlips often classical potential guided sampling defect genome construct machine learning interatomic potentials grain boundaries dislocation networks extended defects automated configuration reconstruction
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Endoscopic ultrasound guided fine needle tissue acquisition:Where we stand in 2013? 被引量:1
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作者 Zeid Karadsheh Mohammad Al-Haddad 《World Journal of Gastroenterology》 SCIE CAS 2014年第9期2176-2185,共10页
Since its introduction,endoscopic ultrasound(EUS)guided fine needle aspiration and fine needle biopsy have become an indispensable tool for the diagnosis of lesions within the gastrointestinal tract and surrounding or... Since its introduction,endoscopic ultrasound(EUS)guided fine needle aspiration and fine needle biopsy have become an indispensable tool for the diagnosis of lesions within the gastrointestinal tract and surrounding organs.It has proved to be an effective diagnostic method with high accuracy and low complication rates.Several factors can influence the accuracy and the diagnostic yield of this procedure including experience of the endosonographer,availability of onsite cytopathology services,the method of cytopathology preparation,the location and physical characteristics of the lesion,sampling techniques and the type and size of the needle used.In this review we will outline the recent studies evaluating EUS-guided tissue acquisition and will provide practical recommendations to maximize tissue yield. 展开更多
关键词 Endoscopic ultrasound Fine needle aspiration Endoscopic ultrasound guided sampling techniques Cytological diagnosis Core biopsy device Gastrointestinal endoscopy
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