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小金团簇的基态结构和能量 被引量:4
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作者 陈华宝 王保林 《四川师范大学学报(自然科学版)》 CAS CSCD 2001年第3期265-268,共4页
应用遗传算法和Gupta势对小金团簇的结构进行了优化计算 ,分析讨论了基态结构和能量随团簇尺寸的变化规律 ,发现Au13 为二十面体以及Ann 在n≥ 16时呈现非晶无序结构的特征 .
关键词 结构 团簇能量 遗传算法 原子 GUPTA势 非晶无序结构
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镍小团簇的基态结构和能量 被引量:2
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作者 陈华宝 《连云港职业技术学院学报》 2001年第4期5-8,共4页
采用Gupta势来描述Nin 团簇中原子之间的相互作用 ,用模拟自然界生物进化的遗传算法优化计算了Nin 团簇 (n =2~ 2 3)的基态结构和能量 ,给出了结构和能量随原子数目的变化规律 ,并讨论了其相对稳定性。
关键词 基态结构 结构 团簇能量 遗传算法 Gupta热 相对稳定性
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Stable High-Energy Density Super-Atom Clusters of Aluminum Hydride 被引量:1
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作者 Ke-yan Lian Yuan-fei Jiang +4 位作者 De-hou Fei Wei Feng Ming-xing Jin Da-jun Ding Yi Luo 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第2期147-152,I0003,共7页
With the concept of super-atom, first principles calculations propose a new type of super stable cage clusters AlnH3n that are much more energetic stable than the well established clusters, AlnHn+2. In the new cluste... With the concept of super-atom, first principles calculations propose a new type of super stable cage clusters AlnH3n that are much more energetic stable than the well established clusters, AlnHn+2. In the new clusters, the aluminum core-frame acts as a super-atom with n vertexes and 2n A1-A1 edges, which allow to adsorb n hydrogen atoms at the top-site and 2n at the bridge-site. Using Al12H36 as the basic unit, stable chain structures, (Al12H36)m, have been constructed following the same connection mechanism as for (A1H3)n linear polymeric structures. Apart from high hydrogen percentage per molecule, calculations have shown that these new clusters possess large heat of formation values and their combustion heat is about 4.8 times of the methane, making them a promising high energy density material. 展开更多
关键词 High-energy density Super-atom First principles Cluster of aluminum hydride
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A model for thermal annealing on forming In—N clusters in InGaNP
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作者 ZHAO ChuanZhen CHEN Lei +5 位作者 LI NaNa ZHANG HuanHuan CHEN YaFei WEI Tong TANG ChunXiao XIE ZiLi 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2012年第5期798-801,共4页
We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the ... We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the theoretical calculation. Using the model, the added number of In--N bonds per mol of InGaNP, the added number of nearest-neighbor In atoms per N atom and the average number of nearest-neighbor In atoms per N atom after annealing are calculated. The different function of In--N clusters in InGaNP and InGaN is also discussed, which is due to the different environments around the In--N clusters. 展开更多
关键词 InGaNP ANNEALING In--N clusters THERMODYNAMICS
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High-lying excited states in ^10Be from the ^9Be(^9Be,^10Be)^8Be reaction
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作者 Wei Jiang YanLin Ye +24 位作者 ZhiHuan Li ChengJian Lin QiTe Li YuCheng Ge JianLing Lou DongXing Jiang Jing Li ZhengYang Tian Jun Feng Biao Yang ZaiHong Yang Jie Chen HongLiang Zang Qiang Liu PengJie Li ZhiQiang Chen Yun Zhang Yang Liu XiaoHui Sun Jing Ma HuiMing Jia XinXing Xu Lei Yang NanRu Ma LiJie Sun 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2017年第6期48-52,共5页
A transfer-reaction experiment of ~9Be(~9Be,^(10)Be)~8Be was performed at a beam energy of 45 Me V.Excited states in ^(10)Be up to 18.80 Me V are produced using missing mass and invariant mass methods.Most of the obse... A transfer-reaction experiment of ~9Be(~9Be,^(10)Be)~8Be was performed at a beam energy of 45 Me V.Excited states in ^(10)Be up to 18.80 Me V are produced using missing mass and invariant mass methods.Most of the observed high-lying resonant states,reconstructed from theα+~6He and t+~7Li decay channels,agree with the previously reported results.In addition,two new resonances at 15.6 and 18.8 Me V are identified from the present measurement.The 18.55 Me V state is found to decay into both the t + ~7Lig:s: and t + ~7Li?(0.478 MeV) channels, with a relative branching ratio of 0:93 ± 0:33. Further theoretical investigations are encouraged to interpret this new information on cluster structure in neutron-rich light nuclei. 展开更多
关键词 transfer reaction high-lying excited states cluster decay invariable mass method
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