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熔体金属铜凝固过程中原子团簇结构的形成与生长特性 被引量:1
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作者 易学华 《材料导报》 EI CAS CSCD 北大核心 2015年第24期122-127,共6页
采用分子动力学方法对液态金属Cu在两种不同冷却速率下的凝固过程中其原子团簇结构的形成与生长特性进行了模拟跟踪研究。运用双体分布函数、HA键型指数法、原子团簇类型指数法和可视化分析等方法对凝固过程中原子团簇的微观结构演变特... 采用分子动力学方法对液态金属Cu在两种不同冷却速率下的凝固过程中其原子团簇结构的形成与生长特性进行了模拟跟踪研究。运用双体分布函数、HA键型指数法、原子团簇类型指数法和可视化分析等方法对凝固过程中原子团簇的微观结构演变特性进行了分析研究。研究结果发现:冷却速率为4.0×1012 K/s和2.0×1012K/s时,系统形成以1421、1422键型或由这两种键型构成的面心立方(fcc)(12 0 0 0 12 0)和六角立方(hcp)基本原子团(12 0 0 0 6 6)为主体的晶体结构;尤其是由1421键型构成的面心立方(12 0 0 0 12 0)基本原子团在原子团簇结构的形成和晶体生长中占主导地位。同时还发现:两种冷速下的结晶温度分别为673K和773K,即冷却速度越慢,结晶温度越高;系统最终形成了fcc和hcp的混合晶体结构,但以fcc晶体结构为主;fcc(12 0 0 0 12 0)基本原子团在慢速低温时具有较好的遗传特性,基本原子团之间很容易连接在一起生长成较大的纳米级大团簇结构。 展开更多
关键词 液态金属Cu 原子团结构 分子动力学模拟 Q-SC多体势 成核生长
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科学家研制出原子级纳米晶体管
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《物理通报》 2002年第7期47-48,共2页
关键词 输送电流 原子团结构 原子级纳米晶体管
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Effects of electric pulse modification on liquid structure of Al-5%Cu alloy 被引量:2
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作者 王建中 齐锦刚 +2 位作者 赵作福 郭洪生 赵涛 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第9期2792-2796,共5页
The electric pulse modification (EP, EPM) of liquid metal is a novel method for grain refinement. The structure of EP-modified Al-5%Cu melt was characterized by high-temperature X-ray diffractometry. The results sho... The electric pulse modification (EP, EPM) of liquid metal is a novel method for grain refinement. The structure of EP-modified Al-5%Cu melt was characterized by high-temperature X-ray diffractometry. The results show that the Cu-containing Al clusters remarkably increase in the EP-modified melt, furthermore, these clusters in that case tend to contract due to the decrease of relevant atomic radius and the co-ordination number. This kind of liquid-phase structure leads to a more homogeneous Cu-rich phase distribution in the final solidification structure. Differential scanning calorimetry (DSC) tests indicate that the solidification super-cooling degree of the EP-modified liquid phase is 2.36 times that of the unmodified. These facts suggest that the atom cluster changes in EP-modified Al-5%Cu melt would disagree with that by EPM model previously proposed in liquid pure metal. 展开更多
关键词 electric pulse modification Al-Cu melt atomic cluster liquid structure
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Cluster of solar active regions and onset of coronal mass ejections 被引量:4
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作者 WANG JingXiu ZHANG YuZong +3 位作者 HE Han CHEN AnQin JIN ChunLan ZHOU GuiPing 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2015年第9期95-102,共8页
round-the-clock solar observations with full-disk coverage of vector magnetograms and multi-wavelength images demonstrate that solar active regions(ARs) are ultimately connected with magnetic field. Often two or more ... round-the-clock solar observations with full-disk coverage of vector magnetograms and multi-wavelength images demonstrate that solar active regions(ARs) are ultimately connected with magnetic field. Often two or more ARs are clustered, creating a favorable magnetic environment for the onset of coronal mass ejections(CMEs). In this work, we describe a new type of magnetic complex: cluster of solar ARs. An AR cluster is referred to as the close connection of two or more ARs which are located in nearly the same latitude and a narrow span of longitude. We illustrate three examples of AR clusters, each of which has two ARs connected and formed a common dome of magnetic flux system. They are clusters of NOAA(i.e., National Oceanic and Atmospheric Administration) ARs 11226 & 11227, 11429 & 11430, and 11525 & 11524. In these AR clusters, CME initiations were often tied to the instability of the magnetic structures connecting two partner ARs, in the form of inter-connecting loops and/or channeling filaments between the two ARs. We show the evidence that, at least, some of the flare/CMEs in an AR cluster are not a phenomenon of a single AR, but the result of magnetic interaction in the whole AR cluster. The observations shed new light on understanding the mechanism(s) of solar activity. Instead of the simple bipolar topology as suggested by the so-called standard flare model, a multi-bipolar magnetic topology is more common to host the violent solar activity in solar atmosphere. 展开更多
关键词 ACTIVITY coronal mass ejection magnetic fields
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Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene 被引量:3
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作者 Alexander J. Marsden Peter Brommer +9 位作者 James J. Mudd M. Adam Dyson Robert Cook Maria Asensio Jose Avila Ana Levy Jeremy Sloan David Quigley Gavin R. Bell Neil R. Wilson 《Nano Research》 SCIE EI CAS CSCD 2015年第8期2620-2635,共16页
Covalent functionalization of graphene offers opportunities for tailoring its properties and is an unavoidable consequence of some graphene synthesis techniques. However, the changes induced by the functionalization a... Covalent functionalization of graphene offers opportunities for tailoring its properties and is an unavoidable consequence of some graphene synthesis techniques. However, the changes induced by the functionalization are not well understood. By using atomic sources to control the extent of the oxygen and nitrogen functionalization, we studied the evolution in the structure and properties at the atomic scale. Atomic oxygen reversibly introduces epoxide groups whilst, under similar conditions, atomic nitrogen irreversibly creates diverse functionalities including substitutional, pyridinic, and pyrrolic nitrogen. Atomic oxygen leaves the Fermi energy at the Dirac point (i.e., undoped), whilst atomic nitrogen results in a net n-doping; however, the experimental results are consistent with the dominant electronic effect for both being a transition from delocalized to localized states, and hence the loss of the signature electronic structure of graphene. 展开更多
关键词 GRAPHENE FUNCTIONALIZATION chemical vapor deposition density functional theory
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