共查询到18条相似文献,搜索用时 31 毫秒
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采用X射线衍射技术研究了Al_0.9Fe_0.1和Al_0.9Fe_0.05Ce_0.05合金的液态结构及Al_0.9Fe_0.05Ce_0.05合金的非晶结构,并采用DSC热分析研究了非晶合金的晶化行为.发现液态和非晶态合金的结构因子曲线上都存在明显的预峰,所对应的化学短程有序结构随温度降低,尺寸不断增大,但其结构单元的尺寸保持不变.Ce的加入使液态合金中化学短程有序及其结构单元的尺寸增大,并有利于原子间交互作用增强,从而提高非晶形成能力.预峰所对应的化学短程有序结构单元是以Fe原子为中心的二十面体准晶结构,这种结构在液态已形成,并保留在非晶中. 相似文献
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用铜模铸造法成功制备出直径为3mm以混合稀土金属Mm(Mischmetal)为基的Mm55Al25Ni10Cu5Co5大块非晶合金。利用XRD和DSC等手段对该合金的形成能力及热稳定性进行了分析。结果表明:该合金具有很好的非晶形成能力及热稳定性,存在明显的玻璃转变温度Tg、宽的过冷液相区△Tx=Tx-Tg(〉60K)及高的约化玻璃转变温度Trg=Tg/Tm(〉0.67)。同时,该合金强度较高,其压缩断裂强度(σf)为676MPa,比La55Al25Ni10Cu5Co5大块非晶提高94MPa。另外,Mm55Al25Ni10Cu5Co5大块非晶合金的成本较低。 相似文献
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许多病毒具有二十面体结构。本文对已经发现的各种二十面体病毒进行了分类,分析了二十面体病毒衣壳的结构特征,阐述了二十面体病毒的结构蛋白。 相似文献
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采用单辊旋淬法首次制备了Al85Ni10ErxZr5-x(x=3,4,5)非晶合金,利用X射线衍射(XRD)证明Al85Ni10ErxZr5-x(x=4,5)结构为完全非晶态,Al85Ni10Er3Zr2合金为部分非晶。应用差示热分析法(DTA)测定该合金的热学参量,分析了其晶化过程。利用Kissinger法计算了非晶合金的晶化激活能。研究了Er的增加对于Al-Ni-Er-Zr系合金非晶形成能力和热稳定性的影响。结果表明:Er的增加提高了该合金体系非晶形成能力和热稳定性。 相似文献
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单质硼有多种复杂的晶体结构.对于α-菱形单质硼的结构,有关的教科书大多是作如下描述的:“……其基本的结构单元为正二十面体的对称几何构型.每个面近似为一个等边三角形,20个面相交成12个角顶.每个角顶为一个硼原子所占据,每个硼原子与邻近的5个硼原子等距离.如图1,每个二十面体通过处在腰部的6个硼原子以三中心 相似文献
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Czakler M Litschauer M Föttinger K Peterlik H Neouze MA 《The journal of physical chemistry. C, Nanomaterials and interfaces》2010,114(49):21342-21347
Recently we published the synthesis of new hybrid materials, ionic silica nanoparticles networks (ISNN), made of silica nanoparticles covalently connected by organic bridging ligands containing imidazolium units owing to a "click-chemistry-like" reaction. Among other techniques small-angle X-ray scattering (SAXS) experiments were carried out to get a better picture of the network extension. It turned out that the short-range order in ISNN materials was strongly influenced by the rigidity of the bridging ligand, while the position of the short-range order peaks confirmed the successful linking of the bridging ligands. The photoluminescence experiments reported in this communication revealed strongly enhanced emission in the hybrid material in comparison with neat imidazolium salts. Moreover the shift of the emission maximum toward longer wavelengths, obtained when varying the aromatic ring content of the bridging ligand, suggested the existence of strong π-π stacking in the hybrid material. Experiments revealed a stronger luminescence in those samples exhibiting the higher extent of short-range order in SAXS. 相似文献
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化学短程序和中程序的Voronoi多面体分析 总被引:1,自引:0,他引:1
液体和玻璃中的化学短程序是其物理模型的一个基本问题.Voronoi 多面体的计算和统计,提供了一种研究原子间短程化学有序的方法.然而,Voronoi 多面体只能描述原子最近邻的局域堆垛结构,为考察化学有序与距离的关系,特别是短程序、中程序及其间的过渡,我们提出Voronoi 多面体套的概念,并建立了它的计算方法.Voronoi 多面体套(详称胀套Voronoi 多面体)是Voronoi 多面体的直接推广.随着胀套级的递增,它由近到远地描述了原子的各层次的近邻之堆垛结构,细致地刻划出化学有序 相似文献
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The discovery of the famous fullerene has raised an interest in the study of other candidates for a modeling of carbon molecules. Motivated by a P. Fowler's question Delgado Friedrichs and Deza defined I(a,b)-fulleroids as cubic convex polyhedra having only a-gonal and b-gonal faces and the symmetry groups isomorphic with the rotation group of the regular icosahedron. In this note we prove that for every n8 there exist infinitely many I(5,n)-fulleroids. This answers positively questions posed recently by Delgado Friedrichs and Deza. 相似文献
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Emilio Martínez Torres 《Chemical physics letters》2000,320(5-6)
A set of twelve equivalent icosahedral hybrid orbitals pointing from the centre to the corners of a regular icosahedron has been obtained. Such hybrids can be used to explain the geometry of twelve-coordinate complexes of a rare-earth atom. Using group theoretical considerations, it is shown that these hybrids can be constructed by linear combination of one s, three p, five d and three f-orbitals. Bearing in mind that the twelve hybrids have identical shape but are oriented differently in space, their mathematical expressions have been obtained by applying geometrical transformations to the sp3d5f3 hybrid pointing along the positive z-axis. In order to obtain elegant mathematical expressions, the x, y and z axes have been chosen to be coincident with three orthogonal binary axes of the icosahedron. 相似文献
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McKinlay RM Dalgarno SJ Nichols PJ Papadopoulos S Atwood JL Raston CL 《Chemical communications (Cambridge, England)》2007,(23):2393-2395
Hydrolysis of 'tris(aryl or alkyl)gallium(III)' species results in the formation of spheroidal dodecameric galloxane mixed oxide-hydroxide clusters, and shows that the gallium centres and associated residual alkyl/aryl groups are arranged at the polyhedral vertices of pseudo-icosahedra. 相似文献
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基于液态合金化学短程序与拓扑短程序发展了一个新的混合构型熵计算模型, 从这个模型可以导出用来描述等原子直径随机混合物的理想混合熵. 通过将该模型应用于一些理想的和真实的液态二元合金, 可以看到化学短程序减小了混合构型熵, 而原子尺寸差异的影响则较为复杂. 当大原子进入小原子基体时, 混合构型熵增大; 而当小原子进入大原子基体时, 混合构型熵减小. 在这些合金中, 共晶成分处并没有出现混合构型熵极大值. 相似文献
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Dhiraj Bhatia Shabana Mehtab Ramya Krishnan Shantinath S. Indi Dr. Atanu Basu Dr. Yamuna Krishnan Dr. 《Angewandte Chemie (International ed. in English)》2009,48(23):4134-4137
It's a trap! DNA polyhedra formed through molecular self‐assembly may function as nanocapsules for the targeted delivery of encapsulated entities. This functional aspect was demonstrated for the most complex DNA‐based platonic solid: During the stepwise amalgamation of discrete polyhedra to form icosahedra, gold nanoparticles (GNPs) were encapsulated from solution (see illustration and TEM image of icosahedral cages containing GNPs).
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Nicholas Dominelli-Whiteley Dr. James J. Brown Dr. Kamila B. Muchowska Dr. Ioulia K. Mati Dr. Catherine Adam Dr. Thomas A. Hubbard Alex Elmi Dr. Alisdair J. Brown Dr. Ian A. W. Bell Dr. Scott L. Cockroft 《Angewandte Chemie (International ed. in English)》2017,56(26):7658-7662
Chains of hydrogen bonds such as those found in water and proteins are often presumed to be more stable than the sum of the individual H bonds. However, the energetics of cooperativity are complicated by solvent effects and the dynamics of intermolecular interactions, meaning that information on cooperativity typically is derived from theory or indirect structural data. Herein, we present direct measurements of energetic cooperativity in an experimental system in which the geometry and the number of H bonds in a chain were systematically controlled. Strikingly, we found that adding a second H-bond donor to form a chain can almost double the strength of the terminal H bond, while further extensions have little effect. The experimental observations add weight to computations which have suggested that strong, but short-range cooperative effects may occur in H-bond chains. 相似文献