Electronic Structure Research on Lattice Stability of V,Nb, and Ta by Density Functional Theory

The difference of energy and electronic structure of V, Nb, and Ta in different crystalline structures were investigated by different methods in density functional theory (DFT). Latticeconstants, total energies, and densities of states of these metals were calculated using the plane-wave pseudopotential method in DFT. Results were compared with those of projector augmented wave method, CALPHAD method, and experiments. Total energy and electronic structure analyses showed that valence electrons mostly transferred from s to p or d state, changing obviously with both the crystal structure and the elemental period number from V to Ta and leading to stronger cohesion, higher cohesive energy and more stable lattice of heavier metals.     

用于高能轻粒子探测的延迟线PPAC(英文)

气体探测器有成本低廉、制备简单、性能可靠和方便使用等特点。研制了一种5层板结构的延迟线平行板雪崩电离室（PPAC）,用于兰州放射性束流线（RIBLL）上开展的实验。在57.6 MeV/u的6He束流条件下测试了这种探测器对高能轻粒子的适用性,得到了位置分辨为1.8 mm (FWHM), 时间分辨为2.6 ns, 以及可靠的探测效率。The gas detectors have the characteristics of low cost, easy preparation, reliable capability and convenient for use etc. A delay line parallel plate avalanche counter(PPAC) with five plates has been developed for the experiments at Radioactive Ion Beam Line in Lanzhou(RIBLL). The applicability of counter for high energy light ion has been tested with 57.6 MeV/u 6He beam. A position resolution of ~1.8 mm(FWHM) and a timing resolution of ~2.6 ns are achieved. The detection efficiency is reasonable.     

动静组合加载下花岗岩的力学性能

在霍普金森试验系统上进行了花岗岩动静组合加载试验,获得了花岗岩在动静组合加载下的力学性能.试验结果表明:当动载不变,改变静栽大小,在弹性范围内,花岗岩强度随着静载增大而增大;当静载超过弹性极限时,花岗岩强度迅速降低;在其破坏过程中对冲击能量的吸收随静载增大而减小;变形模量呈现明显的两段特征.当静载不变,改变动载大小,花岗岩的强度随动载增大而增大;变形模量先随动载增大而增大,而后又突然变小,并不出现两段特征;在其破坏过程中对冲击能量的吸收随动载应变率的增大而逐渐增大.所得结果为岩爆、深部破岩等研究提供实验依据.     

化学研究中的扫描探针显微学

20世纪 80年代初期 ,扫描隧道显微技术 (ＳｃａｎｎｉｎｇＴｕｎｎｅｌｉｎｇＭｉｃｒｏｓｃｏｐｙ,以下略称为ＳＴＭ)问世[1] 。以后仅十余年 ,以ＳＴＭ为代表的扫描探针显微技术 (ＳｃａｎｎｉｎｇＰｒｏｂｅＭｉｃｒｏｓｃｏｐｙ,ＳＰＭ)迅速发展 ,应用也已经拓展到了包括物理、化学、生物、材料等众多领域。可以预言 ,随着科学技术的不断进步 ,ＳＰＭ技术将不断显示出其优越性 ,尤其在纳米科技异军突起的今天 ,越发离不开这一集观察、分析及操作原子分子等功能于一体的技术。本文我们将着重介绍ＳＰＭ技术 ,特别是电化学ＳＴＭ技术在化…     

稳定自由基存在下苯乙烯聚合的加速剂

研究了稳定自由基存在下苯乙烯的活性聚合,发现在β－酮酸酯－乙酰乙酸乙酯,乙二酸二乙酯,1,3－二酮－乙酰丙酮的少量存在下,苯乙烯聚合速率显著增加,分子量可控,分子量在布较窄。而乙酰丙酮较大量存在下,聚苯乙烯分散性稍微变宽。     

2-羟基-1O,11-二氢-5H-二苯并[a,d]环庚烯-5-酮的合成

以2－羟基苯甲醛和3－甲氧基苯乙酸为原料,经3步反应合成2－羟基－10,11－二氢－5H－二苯并[a,d]环庚烯－5－酮。     

Reductive Coupling of Carbonyl Compounds to Pinacols with Zinc in THF-Saturated Aqueous Ammonium Chloride

Summary.  In the presence of metallic zinc, aldehydes and ketones experience reductive coupling in tetrahydrofuran-saturated aqueous ammonium chloride (5:3) to afford the corresponding pinacols in moderate to high yields. Received October 23, 2000. Accepted (revised) December 12, 2000     

Fe-Al-Mg-MMH/钠质蒙脱土分散体系触变性研究

研究了Fe-Al-Mg型混合金属氢氧化物(简称MMH)/钠质蒙脱土(简称MT)分散体系的触变性,发现在不同MMH/MT质量比(R)条件下,分散体系可分别呈现正触变性和负触变性.在所研究的R范围(0～0.091)内,随R增大,体系的触变性发生正触变性-复合触变性-负触变性的转化.考察了高速剪切分散后,测定粘度变化前的静置时间(ts)和测定粘度时的剪切速率(DL)对触变性的影响.探讨了各种触变性产生的原因,提出了“分散粒子-空间连续网络结构-密实聚集体”和“分散粒子-密实聚集体-密实聚集体簇”机理,较合理地解释了观察到的复合触变现象.     

Rh/SiO_2催化剂上甲烷部分氧化制合成气反应机理的研究(英文)

运用ＴＰＳＲ、ＴＲ－ＦＴＩＲ和化学捕获技术（ＣＨ３Ｉ作捕获剂）,探讨了Ｒｈ／ＳｉＯ２催化剂上的ＰＯＭ反应机理,由此提出热分解氧化机理,认为ＣＨｘ（ｘ＝１～３）和ＣＨｘＯ（ｘ＝１～３）可能是反应物种。     

Chains of (4,4′‐bipyridyl)copper(I) bridged by dimolybdate units

The crystal structure of the title compound, poly­[bis‐[copper(I)‐μ‐(4,4′‐bipyridyl)‐N:N′]‐μ‐dimolybdato‐O:O′],[Cu₂(C₁₀H₈N₂)₂{Mo₂O₇}]_n, consists of {Mo₂O₇}^2? units (with the central O atom lying on twofold symmetry axes) and [Cu(4,4′‐bipy)]_nⁿ⁺ chains (bipy = bipyridyl); the chains are generated by a c‐glide‐plane operation. The {Mo₂O₇}^2? units are covalently bridged to two [Cu(4,4′‐bipy)]_nⁿ⁺ chains, forming a complex with a bridged double‐chain structure. The Cu—O and Cu—N distances are 2.191 (3) and 1.933 (3) Å, respectively.