能带论自洽LMTO方法计算金属铜的零温物态方程

 用密度泛函框架下的自洽LMTO方法，在计算一系列晶格常数的Cu的能带结构的基础上，计算了Cu的零温物态方程。压缩度为1.0～4.5。计算结果与两种基于实验数据的半经验方法所得结果以及Albers等人的计算结果进行了比较，其高压部分亦与带量子交换修正的TFC模型结果作了比较，说明计算结果是合理的。进一步的研究可为修正半经验方法提供依据。弄清与TFC理论的异同，对多体系统相互作用有更进一步的了解。     

1-甲基环氧乙烷-1-丙炔醚的结构测定及其核磁图谱

以¹H-NMR谱和¹³C双自旋回波的APT脉冲序列测定文献中尚未曾发表的化合物HC≡C-CH₂-O-C^CH₃-_O-CH₂文中计算了峰强度与脉冲间隔时间的关系,讨论了各谱线的相位并区分出-CH₃、-CH₂、-CH和季碳。     

Mode selectivity of multisegment composite-cavity semiconductor lasers

The single longitudinal mode (SLM) characteristics of narrow linewidth long-external-cavity semiconductor lasers has been improved significantly by using a multisegment composite-cavity configuration. In this paper, the mode selectivities of two-segment, three-segment and four-segment cavity semiconductor lasers have been analysed and compared. In experiments, a four-segment composite cavity laser exhibits SLM oscillation with side-mode suppression ratio of 30 dB even for total external cavity length of 75 cm. The oscillation linewidth is less than 200 kHz.     

拟随机选择法

本文针对通常的随机选择法在求Riemann问题基本解上遇到的困难,提出采用拟特征线形式下的各独立标量方程形式,求其简单的Riemann问题组以代替原Riemann问题的解。这样,使方法基本保持了随机选择法的特点,又使方法的实现、应用和推广更加容易,而且可以设计并行算法。最后用激波管和溃坝问题为例作了实算。结果与已知的结果相比也是满意的。     

闭壳层金掺杂钛氧团簇阴离子解离氢分子研究

Dissociation of molecular hydrogen (H₂) is extensively studied to understand the mechanism of hydrogenation reactions. In this study, H₂ dissociation by Au₁-doped closed-shell titanium oxide cluster anions AuTi₃O₇^- and AuTi₃O₈^- has been identified by mass spectrometry and quantum chemistry calculations. The clusters were generated by laser ablation and massselected to react with H₂ in an ion trap reactor. In the reaction of AuTi₃O₈^- with H₂, the ion pair Au⁺-O₂^2- rather than Au⁺-O^2- is the active site to promote H₂ dissociation. This finding is in contrast with the previous result that the lattice oxygen is usually the reactive oxygen species in H₂ dissociation. The higher reactivity of the peroxide species is further supported by frontier molecular orbital analysis. This study provides new insights into gold catalysis involving H₂ activation and dissociation.     

白蚁菌圃上小白球菌和炭角菌的生态关系初报

通过人工调节pH, CO:分压、温湿度以及有机氮等条件,探讨了白蚁巢内两种优势真菌的生态关系.结果表明:小白球菌和炭角菌除对温湿度要求相似外,不同之处在于小白球菌适应于高浓度COZ、低pH值(3.8一4.2),低浓度有机氮,以及对酵母浸膏也有一定的要求。而炭角菌要求低浓度CO, ,高pH值(5.0- 6.3),又需要高浓度有机氮.根据这些实验,我们初步认为白蚁的存在产生了丰富的有机酸和高浓度CO z,可能给小白球菌造成了特定的pH环境,成为蚁巢菌圃上优势真菌的主要选择因子,在“废巢”菌圃上,有机酸和COZ浓度的降低,炭角菌分泌的代谢物质引起菌圃pH值的上升,可能是炭角菌成为优势种的原因。     

黄河三角洲盐生草甸白茅(Imperata cylindrica var. major)群落季节性动态的研究

采用定位研究的方法研究了生长季白茅(Imperata cylidrica var. major)群落的主要特征和动态。群落的种类组成较简单,其盖度一般在七月中旬达到100％。群落的高增长及地上生产量符合逻辑斯蒂增长模型(Logistic model),并主要受环境中水分和温度因子的影响。群落的最大高度为59cm,出现在八月中旬;地上生产量最大值为干重563g/m~2,出现在九月中旬。     

对a_LiIO_3的离子迁移极化现象的进一步讨论

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Transverse spin correlations in a random anisotropy system: Amorphous ErCo2

We provide a coherent interpretation of early small angle scattering experiments performed by some of us on amorphous ErCo₂ [9]. At low temperature the zero field transverse spin-spin correlation function is found to fit a simple exponential for large length scales (l >l_c), supporting the lower critical dimensionality d_c=4. For shorter length scales (l<l_c) the correlation function is of the Ornstein-Zernike type. These results are physically understood in terms of the breaking of ferromagnetism into Imry and Ma domains.A further physical interpretation leads us to consider the localization of ferromagnetic spin waves within Imry and Ma domains in zero field, and their delocalization by application of an external field.