期刊文献+
共找到5篇文章
< 1 >
每页显示 20 50 100
Ground-state structure and physical properties of YB_(3) predicted from first-principles calculations
1
作者 初斌华 赵元 王德华 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第4期383-388,共6页
Using the calypso algorithm with first-principles calculations,we have predicted two orthorhombic Cmmm and Pmmm structures for YB_(3).The new structures are energetically much better than the previously proposed WB_(3... Using the calypso algorithm with first-principles calculations,we have predicted two orthorhombic Cmmm and Pmmm structures for YB_(3).The new structures are energetically much better than the previously proposed WB_(3)-type,ReB_(3)-type,FeB_(3)-type,and TcP3-type structures.We find that the Cmmm phase transforms to the Pmmm phase at about 31 GPa.Subsequent calculations show that the Cmmm phase is mechanical and dynamical stable at ambient conditions.The analysis of the chemical bonding properties indicates that there are strong B-B bonds that make considerable contributions to its stability. 展开更多
关键词 FIRST-PRINCIPLES high pressures convex hull
下载PDF
Prediction of scandium tetraboride from first-principles calculations:Crystal structures,phase stability,mechanical properties,and hardness
2
作者 初斌华 赵元 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第7期401-406,共6页
Using the evolutionary methodology for crystal structure prediction,we have predicted the orthorhombic Cmcm and Pnma phases for ScB_(4).The earlier proposed Cr B_(4)^(-),Fe B_(4)^(-),Mn B_(4)^(-),and Re P_(4)^(-)type ... Using the evolutionary methodology for crystal structure prediction,we have predicted the orthorhombic Cmcm and Pnma phases for ScB_(4).The earlier proposed Cr B_(4)^(-),Fe B_(4)^(-),Mn B_(4)^(-),and Re P_(4)^(-)type structures for ScB_(4)are excluded.It is first discovered that the Cmcm phase transforms to the Pnma phase at about 18 GPa.Moreover,both phases are dynamically and mechanically stable.The large bulk modulus,shear modulus,and Young's modulus of the two phases make it an optimistic low compressible material.Moreover,the strong covalent bonding nature of ScB_(4)is confirmed by the ELF analysis.The strong covalent bonding contributes greatly to its stability. 展开更多
关键词 first-principles calculations high pressure transition metal borides
下载PDF
Study on the phase transition of the fractal scale-free networks
3
作者 孟庆宽 冯东太 +4 位作者 孙玉萍 周爱萍 孙艳 谭树刚 高绪团 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第10期512-517,共6页
Based on the Ising spin, the phase transition on fractal scale-free networks with tree-like skeletons is studied, where the loops are generated by local links. The degree distribution of the tree-like skeleton satisfi... Based on the Ising spin, the phase transition on fractal scale-free networks with tree-like skeletons is studied, where the loops are generated by local links. The degree distribution of the tree-like skeleton satisfies the power-law form P(k)~ k^-δ.It is found that when δ≥3, the renormalized scale-free network will have the same degree distribution as the original network. For a special case of δ = 4.5, a ferromagnetic to paramagnetic transition is found and the critical temperature is determined by the box-covering renormalization method. By keeping the structure of the fractal scale-free network constant, the numerical relationship between the critical temperature and the network size is found, which is the form of power law. 展开更多
关键词 fractal scale-free network phase transition RENORMALIZATION
下载PDF
Speckle reduction by selective spatial-domain mask in digital holography
4
作者 梁明大 陈丽 +2 位作者 胡义华 林伟涛 陈永昊 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第10期322-328,共7页
An improved method of using a selective spatial-domain mask to reduce speckle noise in digital holography is proposed.The sub-holograms are obtained from the original hologram filtered by the binary masks including a ... An improved method of using a selective spatial-domain mask to reduce speckle noise in digital holography is proposed.The sub-holograms are obtained from the original hologram filtered by the binary masks including a shifting aperture for being reconstructed. Normally, the speckle patterns of these sub-reconstructed images are different. The speckle intensity of the final reconstructed image is suppressed by averaging the favorable sub-reconstructed images which are selected based on the most optimal pixel intensity sub-range in the sub-holograms. Compared with the conventional spatial-domain mask method, the proposed method not only reduces the speckle noise more effectively with fewer sub-reconstructed images,but also reduces the redundant information used in the reconstruction process. 展开更多
关键词 digital holography speckle reduction spatial-domain mask
下载PDF
Ground State Structures of Boron-Rich Rhodium Boride: An Ab Initio Study
5
作者 初斌华 赵元 +1 位作者 闫金良 李达 《Chinese Physics Letters》 SCIE CAS CSCD 2018年第1期55-58,共4页
A new phase of RhB4is predicted based on first-principles calculations. The new phase belongs to the orthorhombic Pnnm space group, named as o-RhB4, and analysis of the calculated enthalpy shows that o-RhB4belongs to ... A new phase of RhB4is predicted based on first-principles calculations. The new phase belongs to the orthorhombic Pnnm space group, named as o-RhB4, and analysis of the calculated enthalpy shows that o-RhB4belongs to the orthorhombic Pnnm space group. The calculated phonon band structure shows that the orthorhombic Pnnm o-RhB4structure is stable at ambient pressure. We expect that the phase transition can be further confirmed by experiments. 展开更多
关键词 In Ground State Structures of Boron-Rich Rhodium Boride An Ab Initio Study
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部