Black phosphorus nanotubes(BPNTs)may have good properties and potential applications.Determining thevibration property of BPNTs is essential for gaining insight into the mechanical behaviour of BPNTs and designingopti...Black phosphorus nanotubes(BPNTs)may have good properties and potential applications.Determining thevibration property of BPNTs is essential for gaining insight into the mechanical behaviour of BPNTs and designingoptimized nanodevices.In this paper,the mechanical behaviour and vibration property of BPNTs are studied viaorthotropic cylindrical shell model and molecular dynamics(MD)simulation.The vibration frequencies of twochiral BPNTs are analysed systematically.According to the results of MD calculations,it is revealed that thenatural frequencies of two BPNTs with approximately equal sizes are unequal at each order,and that the naturalfrequencies of armchair BPNTs are higher than those of zigzag BPNTs.In addition,an armchair BPNTs witha stable structure is considered as the object of research,and the vibration frequencies of BPNTs of differentsizes are analysed.When comparing the MD results,it is found that both the isotropic cylindrical shell modeland orthotropic cylindrical shell model can better predict the thermal vibration of the lower order modes of thelonger BPNTs better.However,for the vibration of shorter and thinner BPNTs,the prediction of the orthotropiccylindrical shell model is obviously superior to the isotropic shell model,thereby further proving the validity ofthe shell model that considers orthotropic for BPNTs.展开更多
基金supported by the National Science Fund for Distin-guished Young Scholars(Grants No.11925205)the National Natural Science Foundation of China(Grant Nos.51921003 and U2341230).
文摘Black phosphorus nanotubes(BPNTs)may have good properties and potential applications.Determining thevibration property of BPNTs is essential for gaining insight into the mechanical behaviour of BPNTs and designingoptimized nanodevices.In this paper,the mechanical behaviour and vibration property of BPNTs are studied viaorthotropic cylindrical shell model and molecular dynamics(MD)simulation.The vibration frequencies of twochiral BPNTs are analysed systematically.According to the results of MD calculations,it is revealed that thenatural frequencies of two BPNTs with approximately equal sizes are unequal at each order,and that the naturalfrequencies of armchair BPNTs are higher than those of zigzag BPNTs.In addition,an armchair BPNTs witha stable structure is considered as the object of research,and the vibration frequencies of BPNTs of differentsizes are analysed.When comparing the MD results,it is found that both the isotropic cylindrical shell modeland orthotropic cylindrical shell model can better predict the thermal vibration of the lower order modes of thelonger BPNTs better.However,for the vibration of shorter and thinner BPNTs,the prediction of the orthotropiccylindrical shell model is obviously superior to the isotropic shell model,thereby further proving the validity ofthe shell model that considers orthotropic for BPNTs.
