Fe_3Al的抗高温氧化和耐热腐蚀性能

在７００℃与８５０℃的高温下，Ｆｅ＿３Ａｌ金属间化合物表面形成了Ａｌ＿２Ｏ＿３保护膜，使其抗氧化性能远优于不妨钢，２％Ｃｒ（原子百分比）加入Ｆｅ＿３Ａｌ会导致氧化过程初期氧化速率的增高，在熔融的硫酸盐和高压锅炉的烟气中，Ｆｅ＿３Ａｌ的耐热腐蚀性能优于高温合金ＧＨ１３２．     

相对论密度泛函法对CN^—在铜和银电极上振动频率的研究

对ＣＮ＾－在铜和银电极上的吸附性质进行了相对论密度泛函簇模型计算。结果表明，电场微扰方法可以描述ＣＮ＾－在铜和银电极上吸附的表面现象，电极势诱导的频率移动被理解为Ｓｔａｒｋ效应所引起。内振动模式Ｍ－ＣＮ和Ｃ－Ｎ的耦合对电位诱导的Ｃ－Ｎ振动频率变化的大小起重要作用，计算所得的由Ｓｔａｒｋ效应所引起Ｃ－Ｎ振动频率变化的斜率和实验结果相符。     

A Novel and Efficient Catalytic System for Aerobic Oxidative Coupling of 2-Naphthol Derivatives

The paper reported a novel and efficient aerobic oxidative coupling reaction of 2-naphthol derivatives catalyzed by CuCu (Ⅰ or Ⅱ)N-alkylimidazole complexes in excellent yields. The crystal structure of CuCu(Ⅱ)N-methylimidazole complex to be determined by X-Ray.     

Triterpenoid Constituents of Huperzia miyoshiana

Thirteen triterpenoids, including three new ones, miyoshianois A (1), B (2) and C (3), were isolated from Huperzia miyoshiana. The structures of these new compounds were established as 3-O-dihydroferuloyltohogenol (1), 16-oxo-3β,21β-dihydrox-y-serrat-14-en-24-ferulate (2) and 16-oxo-3a, 21β-dihydroxy-serrat-14-en-24-ferulate (3), respectively, on the basis of their spectroscopic analysis.     

Moessbauer Investigation of the Ferromagnetic Coupling in Copper-Iron Polycyanides

One of the Prussian blue analogs, molecular magnet Cu3^Ⅲ [Fe^Ⅲ (CN)6]2.11.6H2 O, was investigated by Moessbauer spectroscopy. It was found that transition temperature was around Tc = 18.5 K from paramagnetic phase to ferromagnetic phase. The β value of the critical exponent is around 0.338 at magnetic ordering temperature.Therefore, the ferromagnetic coupling interaction of Cu-Fe cyanide could be clearly explained by spin wave theory.     

Defect Structures in 4H-SiC Irradiated with Highly-energetic ^20Ne^4＋ and ^120Xe^26＋ Ions

The study of damage evolution in silicon carbide bombarded with energetic helium ions is important for the use of this material in future fusion reactors. Heavier inert gas atoms like Ne and Xe have similar behavior of diffusion and clustering with helium, and the comparison of damage accumulation behavior between energetic helium and heavier inert gas ions can reveal important aspects of underlying mechanisms. As an extension of our     

金属铀各相电子结构与原子力

锕系元素不仅存在σ，π，δ对称，还出现了φ轨道，而且相对论效应十分明显，作用机理比较复杂，而全电子计算由于对计算机硬件的要求十分苛刻，因而尚难以开展。因而国际上除了做了一些铀、钚化合物的物性研究外，几乎难以找到关于铀钚腐蚀机理的第一原理研究的报道。而用第一原理研究对于一些非镧、锕系元素，如硅、铜、钯等这种研究工作已经开展得很普遍，而且已经用于指导催化和腐蚀研究的实践工作。在LLUL钚科学在挑战专辑中，对于钚的基态性质，采用局域密度近似（简称LDA）和综合梯度近似方法简称GGA）进行了研究，