期刊文献+
共找到3篇文章
< 1 >
每页显示 20 50 100
GaN-MOVPE寄生反应的密度泛函理论研究 被引量:1
1
作者 张红 唐留 《化工学报》 EI CAS CSCD 北大核心 2019年第9期3275-3282,共8页
利用量子化学的密度泛函理论,探讨了TMG(Ga(CH3)3)/NH3/H2体系中的气体反应机理,特别关注了氨基物DMGNH2的形成及其后的纳米粒子形核路径。通过计算不同温度下不同反应路径上Gibbs自由能的变化,从热力学和动力学两方面分析纳米粒子形核... 利用量子化学的密度泛函理论,探讨了TMG(Ga(CH3)3)/NH3/H2体系中的气体反应机理,特别关注了氨基物DMGNH2的形成及其后的纳米粒子形核路径。通过计算不同温度下不同反应路径上Gibbs自由能的变化,从热力学和动力学两方面分析纳米粒子形核可能的产物。研究发现当T<622 K时,氨基物DMGNH2可由加合物TMG:NH3脱去CH4生成,也可由TMG和NH3双分子碰撞直接生成;当T>622 K时,氨基物DMGNH2直接由TMG和NH3双分子碰撞反应生成。当662.5 K<T<939 K时,二聚物[DMGNH2]2相继脱去CH4,变成[MMGNH]2的反应容易发生。当389 K<T<734.7 K时,三聚物[DMGNH2]3相继脱去CH4,变成[MMGNH]3的反应容易发生。对于[MMGNH]2和[MMGNH]3相继脱去CH4的反应,因为所有反应的ΔG>0,所以很难生成[GaN]2和[GaN]3。因此认为[MMGNH]2和[MMGNH]3是GaN-MOVPE低聚物纳米形核最可能的产物。 展开更多
关键词 密度泛函理论 化学反应 GAN MOVPE 纳米形核 计算化学
下载PDF
Morphologies of Core-Shell-Cylinder-Forming ABC Star Triblock Copolymers in Nanopores 被引量:1
2
作者 Wen-bo Jiang Wen-chang Lang +1 位作者 Shi-ben Li Xiang-hong Wang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第3期337-342,共6页
The self-assembly behavior of ABC star triblock copolymers can lead to a large number of nanostructures. Indeed, many new and interesting structures have already been discovered and proven to be hotspot in soft matter... The self-assembly behavior of ABC star triblock copolymers can lead to a large number of nanostructures. Indeed, many new and interesting structures have already been discovered and proven to be hotspot in soft matter physics research. In this work, we introduce different phase diagrams of core-shell-cylinder-forming ABC star triblock copolymers under different conditions, including in-bulk and pore geometries with different sizes. The relation between the pore size geometries and their corresponding structures are also revealed. The different properties of the surface potential field that significantly affect the self-assembly process of ABC star triblock copolymers are investigated as well. 展开更多
关键词 Nanopore ABC star triblock copolymer Core-shell-cylinder-forming
下载PDF
EBSD characterization of Al7075/graphene nanoplates/carbon nanotubes composites processed through post-deformation annealing 被引量:6
3
作者 Siavash IMANIAN GHAZANLOU Baitallah EGHBALI Roumen PETROV 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2021年第8期2250-2263,共14页
The effects of the post-deformation annealing on the microstructural evolution of hot rolled Al7075 matrix composites reinforced with CNTs and GNPs were investigated.The multi-pass hot rolling was applied on the stir ... The effects of the post-deformation annealing on the microstructural evolution of hot rolled Al7075 matrix composites reinforced with CNTs and GNPs were investigated.The multi-pass hot rolling was applied on the stir cast samples.Annealing was then applied to the composites at 450℃ for 4 h.Microstructural evolution was examined by SEM,EDS,and EBSD techniques.EBSD data showed that the addition of 0.87 vol.%(GNPs+CNTs)significantly inhibited the occurrence of recrystallization.Also,in the composite with 0.96 vol.%CNTs,recrystallization was partially inhibited.Whereas,in composites with 0.92 vol.%of GNPs,the occurrence of recrystallization through particle stimulated nucleation(PSN)mechanism was significantly accelerated.The volume fraction of recrystallized grains depends significantly on the occurrence of PSN in the presence of reinforcements.The intensity and type of the main components of the texture as well as the FCC fibers depend on the type of reinforcement. 展开更多
关键词 ANNEALING COMPOSITE graphene nanoplates carbon nanotubes RECRYSTALLIZATION particle stimulated nucleation texture
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部