Via structural searching methodology and first-principles calculations, we predicted two new BC6N allotropes, a Ccentered monoclinic BC6N（Cm-BC6N） and a primitive-centered monoclinic BC6N（Pm-BC6N）.The lattice vibr...Via structural searching methodology and first-principles calculations, we predicted two new BC6N allotropes, a Ccentered monoclinic BC6N（Cm-BC6N） and a primitive-centered monoclinic BC6N（Pm-BC6N）.The lattice vibrations,elastic properties, ideal strength, theoretical hardness, and electronic structure of the predicted BC6N were investigated systematically.Our results reveal that Cm-BC6N is more favorable energetically than graphite-like g-BC6N above 20.6 GPa,which is lower than the transition pressures of r-BC6N, t-BC6N, and Pm-BC6N.Both Cm-BC6N and Pm-BC6N are indirect semiconductors with band gaps of 2.66 eV and 0.36 eV, respectively.Cm-BC6N exhibits the excellent ideal shear strength of 53.9 GPa in（011）■, much greater than that of Pm-BC6N（25.0 GPa in（010）[101] shear direction）, and Cm-BC6N shows a much lower anisotropy in shear strength than Pm-BC6N.The Vickers hardness of Cm-BC6N is estimated to be above 80 GPa, which is more outstanding than those of t-BC6N and r-BC6N.展开更多
The magnetic lens(Zumbro lens) is a critical part in proton radiography. Traditionally the matched beam for Zumbro lens in proton radiography is a virtual point source beam, which is not suitable for some cases, such ...The magnetic lens(Zumbro lens) is a critical part in proton radiography. Traditionally the matched beam for Zumbro lens in proton radiography is a virtual point source beam, which is not suitable for some cases, such as cylindrical samples. In these cases, a parallel beam is more appropriate. In this paper, a method, which uses quadrupole beamline, is proposed for designing a magnetic lens with parallel beam matched. Theoretical analysis is given. The results show that the matched beam for this lens is indeed parallel beam, while the major merits of Zumbro lens are inherited. Following this method, a theoretical design based on the 11-Me V cyclotron is presented.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.21671168 and 21875205)the Hebei Natural Science Foundation,China(Grant No.B2015203096)the Qinhuangdao Science and Technology Support Program,China(Grant No.201703A014)
文摘Via structural searching methodology and first-principles calculations, we predicted two new BC6N allotropes, a Ccentered monoclinic BC6N（Cm-BC6N） and a primitive-centered monoclinic BC6N（Pm-BC6N）.The lattice vibrations,elastic properties, ideal strength, theoretical hardness, and electronic structure of the predicted BC6N were investigated systematically.Our results reveal that Cm-BC6N is more favorable energetically than graphite-like g-BC6N above 20.6 GPa,which is lower than the transition pressures of r-BC6N, t-BC6N, and Pm-BC6N.Both Cm-BC6N and Pm-BC6N are indirect semiconductors with band gaps of 2.66 eV and 0.36 eV, respectively.Cm-BC6N exhibits the excellent ideal shear strength of 53.9 GPa in（011）■, much greater than that of Pm-BC6N（25.0 GPa in（010）[101] shear direction）, and Cm-BC6N shows a much lower anisotropy in shear strength than Pm-BC6N.The Vickers hardness of Cm-BC6N is estimated to be above 80 GPa, which is more outstanding than those of t-BC6N and r-BC6N.
基金supported by National Natural Science Foundation of China(Nos.11475157,11405162,11205144 and 11176001)CAEP Developing Foundation(No.2014A0402016)+1 种基金CAEP President Foundation(No.201402086)CAEP Key Laboratory Foundation(No.PPL2013PZ09)
文摘The magnetic lens(Zumbro lens) is a critical part in proton radiography. Traditionally the matched beam for Zumbro lens in proton radiography is a virtual point source beam, which is not suitable for some cases, such as cylindrical samples. In these cases, a parallel beam is more appropriate. In this paper, a method, which uses quadrupole beamline, is proposed for designing a magnetic lens with parallel beam matched. Theoretical analysis is given. The results show that the matched beam for this lens is indeed parallel beam, while the major merits of Zumbro lens are inherited. Following this method, a theoretical design based on the 11-Me V cyclotron is presented.
