Dispersion-corrected DFT calculations have been performed to study the crystal structure, initial decomposition mechanism, polymerization mechanism, electronic structure and absorption properties of the most powerful ...Dispersion-corrected DFT calculations have been performed to study the crystal structure, initial decomposition mechanism, polymerization mechanism, electronic structure and absorption properties of the most powerful CHNO energetic compound octanitrocubane（ONC） under hydrostatic pressure of 0~200 GPa. Our results show that the lattice parameter c is sensitive to van der Waals interactions and the structure is the stiffest in the a direction. ONC decomposes by the breaking of N–O bond in nitro group at 195 GPa. At 200 GPa, ONC decomposes through the breaking of N–O bond in nitro group and polymerizes through the forming of a new C–O covalent bond between a carbon atom in the cage skeleton and one oxygen atom of nitro group in another ONC molecule. ONC becomes more and more sensitive under high pressure and transforms into a metallic phase in the pressure range of 175~200 GPa. ONC also has higher optical activity and wider absorption range under compression.展开更多
歌词属于文学体裁中的一种,在语言学理论指导下对文学作品进行鉴赏,可使文本分析更具科学客观性。在功能语法及物性理论分析框架下对歌词"One Tree Hill"进行语篇分析,发现物质过程和环境成分数量上的前景化是造成"One T...歌词属于文学体裁中的一种,在语言学理论指导下对文学作品进行鉴赏,可使文本分析更具科学客观性。在功能语法及物性理论分析框架下对歌词"One Tree Hill"进行语篇分析,发现物质过程和环境成分数量上的前景化是造成"One Tree Hill"视觉感突出的语言学原因,对于表达作品主题、抒发作者情感和实现语篇目的具有重要的意义。由此表明,及物性过程是表达经验功能的重要手段,在歌曲主题意义和价值观构建上各具作用。展开更多
基金Supported by the Science Foundation of Nanjing Institute of Technology(YKJ201507,CKJA201603,ZKJ201402)the Natural Science Foundation of Jiangsu Higher Education Institutions of China(14KJD430002)+1 种基金the Jiangsu Key Laboratory Opening Project of Advanced Structural Materials and Application Technology(ASMA201408)the Youth Natural Science Foundation of Jiangsu Province(BK20130747)
文摘Dispersion-corrected DFT calculations have been performed to study the crystal structure, initial decomposition mechanism, polymerization mechanism, electronic structure and absorption properties of the most powerful CHNO energetic compound octanitrocubane（ONC） under hydrostatic pressure of 0~200 GPa. Our results show that the lattice parameter c is sensitive to van der Waals interactions and the structure is the stiffest in the a direction. ONC decomposes by the breaking of N–O bond in nitro group at 195 GPa. At 200 GPa, ONC decomposes through the breaking of N–O bond in nitro group and polymerizes through the forming of a new C–O covalent bond between a carbon atom in the cage skeleton and one oxygen atom of nitro group in another ONC molecule. ONC becomes more and more sensitive under high pressure and transforms into a metallic phase in the pressure range of 175~200 GPa. ONC also has higher optical activity and wider absorption range under compression.
文摘歌词属于文学体裁中的一种,在语言学理论指导下对文学作品进行鉴赏,可使文本分析更具科学客观性。在功能语法及物性理论分析框架下对歌词"One Tree Hill"进行语篇分析,发现物质过程和环境成分数量上的前景化是造成"One Tree Hill"视觉感突出的语言学原因,对于表达作品主题、抒发作者情感和实现语篇目的具有重要的意义。由此表明,及物性过程是表达经验功能的重要手段,在歌曲主题意义和价值观构建上各具作用。
