Atomic-scale computer simulation for early precipitation process of Ni75Al10V15 alloy

The kinetic model for a ternary system is introduced based on the microscopic diffusion form of the phase-field equations for a binary alloy. The equation is solved in the reciprocal space. This model is used to investigate the early precipitation process of Ni75-Al10V15 by simulating the atomic pictures of the two ordered phases and calculating the order parameters of γ′(Ni3Al) phase. Simulation results show that the γ′ ordered phases precipitate from the disordered matrix by a non-classical nucleation mechanism, and the nonstoichiometric γ′ ordered phase appears first and then transforms into the stoichiometric one. Clusters of V atoms appear at the γ′ phase boundaries followed by the formation of the nonstoichiometric θ ordered phase. The farther the location from γ′ phase boundary is, the lower the order degree of θ phase is. There exist two kinds of DO22 ordered domains: a horizontal one and a vertical one, related to their adjacent γ′ phase boundaries. The model could describe the atomic ordering and composition clustering simultaneously, and any a priori assumption about the new phase structure and precipitation mechanism etc. is unnecessary.     

Preparation,crystal structure and quantum chemical investigation of [Li(NTO) (H2O)]

[Li(NTO)(H₂O)₂] was prepared by mixing the aqueous solution of 3-nitro-1,2,4-triazol-5-one (NTO) and lithium hydroxide. The crystal structure of [Li(NTO)(H₂O)₂] was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P2₁/n with crystal parameters of a = 0.742 0(2) nm, b = 0.344 9(1) nm,c = 2.490 6(3) nm, β= 94.89(1)°, Z = 4,D _c , = 1.799 g cm⁻³,V = 0.635 nm³, μ = 1.591 cm⁻¹, F(000) = 392. The finalR is 0.051. The MNDO MO calculation shows that the coordinate bonds of title compound possess certain extent of covalent character. O₂ atom of NTO anion is bonded to Li atom; the nitro group will be lost first when NTO is decomposed.     

镍（Ⅱ）-六次甲基四胺配合物的固相反应合成

在室温条件下，六水合二氯化镍与六次甲基四胺发生固相化学反应，制得了镍(Ⅱ)-六次甲基四胺配合物，对产物进行了元素分析，并研究了其热致变色性能．     

Effects of CIITA antisense RNA on the expression of HLA class II molecules

To study the effect of the major histocompatibility complex class II (MHC II) transactivator (CIITA) antisense RNA on the expression of the human leukemia (HLA) class II molecules, 5′ end cDNA sequence of CIITA gene was cloned, and antisense RNA expression vector pcDNA-II was constructed. HeLa cells transfected with pcDNA-II and pcDNA3 were induced by IFN-γ for 3 d. The expression of HLA class II molecules on HeLa/pcDNA-II cells was significantly decreased, while it has no effect on the expression of HLA class I molecules. This result suggests that the CIITA antisense RNA can inhibit the expression of HLA class II molecules in HeLa cells. It also implies a promising approach to generate immune tolerance in graft transplantation.     

Fe—Ni—P合金及其金属陶瓷复合镀层的微观结构

利用Ｘ射线衍射技术对Ｆｅ－Ｎｉ－Ｐ合金以及Ｆｅ－Ｎｉ－Ｐ－Ｓｉ３Ｎ４复合镀层的晶体结构进行了分析，同时利用“单峰傅氏分析法”对镀层的“微晶尺寸”和“晶格畸变”进行了定量分析，并且讨论了部分工艺参数对镀层的微观结构的影响。     

化学镀制备SiC/Ni-P功能梯度材料

通过对化学复合镀Ｎｉ－Ｐ－ＳｉＣ复合镀层的研究，找到了制备ＳｉＣ／Ｎｉ－Ｐ功能梯度材料的工艺方法．并采用光学显微镜、电子探针分析仪、透射电镜等方法和手段对ＳｉＣ／Ｎｉ－Ｐ功能梯度材料的组织、形貌和成分进行了研究．结果表明，功能梯度材料的微观结构与材料成分梯度分布之间有很好的对应关系．     

二茂铁基三级醇的合成

将RMgCl（3倍量）和ZnCl2（1倍量）混合原位生成高效亲核性烷基化试剂有机锌酸复合物,来对二茂铁基酮进行烷基化反应,制备二茂铁基三级醇。获得了对二茂铁基酮的高效烷基化结果,如i-PrMgCl与二茂铁基乙酮的烷基化产率从20％提高到91％,还原副产物产率相应从36％降低至0％。较炕基锂和格氏试剂,前者能够有效地进行二茂铁基酮的烷基化,该方法将成为非常好的通用烷基化方法,并为工业化大量生产二茂铁基三级醇探索了道路。     

LiNbO_3:Ni~(2+)晶体中Ni~(2+)离子的占位研究

本文研究了Ｎｉ２＋离子在ＬｉＮｂＯ３晶体中的占位．采用完全对角化哈密顿矩阵方法，计算了Ｎｉ２＋：ＬｉＮｂＯ３的零场分裂和光谱结构，计算值与实验观测值一致．研究表明，Ｎｉ２＋离子占Ｌｉ＋位并且沿Ｃ３轴向氧八面体中心移动约０．２２     

Hydrothermal synthesis and crystal structure of copper (II)coordination polymer composed of helix-like chains:[Cu(NIPH)(bpy)]

The design and synthesis of metal-organic polymeric frameworks have attracted great attention due to their potential applications and fascinating structures[1-4]. Great interests have been focused on self- assembly in the supramolecular architectures by e…     

N-邻羟基苄基氨乙酸及其络合物的研究(Ⅲ)——Fe(Ⅲ)的络合、水解及聚合

本文用pH滴定法研究Fe(Ⅲ)与N-邻羟基苄基氨乙酸(HBG)的络合行为以及1:1络合物(FeL~+)的水解和聚合作用。测定了30.0±0.1℃、μ=0.1(NaClO_4)的水溶液中Fe(Ⅲ)与HBG络合物的逐级稳定常数以及FeL~+的第一级水解平衡常数和水解产物(Fe(OH)L)的二聚平衡常数。讨论了pH滴定曲线、溶液中的平衡及水解产物的存在形式。