Describing metal surfaces and nanostructures with orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) can be made to scale linearly with sample size, allowing thousands of atoms to be treated explicitly with quantum mechanics. State-of-the-art kinetic energy density functionals and ion–electron pseudopotentials are used to obtain accurate structural property predictions for nanoparticles, nanowires, extended surfaces, and nanoindentation of simple metals.     

埕东油田埕913断块沙三段砂砾岩油藏储层特征研究

以井点分析为基础，利用棱磁共振测井等资料，对埕东油田埕913断块沙三段储层岩石进行分类；应用岩石铸体薄片、扫描电镜、压汞、CT等资料，以砂砾岩储层孔隙结构特征为重点，对其储层特征进行了研究。通过CT分析，确定了储层孔隙度，为落实储量规模提供了依据。     

枣35断块沙三段玄武岩储层特征及成藏条件分析

从地质、地震、测井及试油试采等方面入手，并采用新技术，对自来屯构造枣35断块沙三段玄武岩储层特征及成藏条件进行了分析。其结果为该区下一步勘探、开发及进一步研究奠定了基础。     

NiTi形状记忆合金激光气体氮化层表面特征

为改善NiTi合金的表面性能，利用2kW连续波Nd：YAG对NiTi合金进行激光气体氮化处理。采用SEM、TEM、XRD、XPS和纳米压痕研究了氮化层的显微组织及表面特征．结果表明：激光气体氮化可以在NiTi合金表面制备连续、无裂纹、厚度为2μm的TiN表面层，该表面层中基本不合有Ni元素且具有很高的硬度，其纳米压痕硬度为29．28GPa．     

Peer responses to a team's weakest link: A test and extension of LePine and Van Dyne's model.

This article reports research intended to assess and extend a recent theory of peer responses to low-performing team members (J. A. LePine & L. Van Dyne, 2001a). An instrument that assesses 4 types of peer responses to low performers (compensating for, training, motivating, and rejecting) was developed and then cross-validated in a subsequent study. Results of the study supported the validity of the peer responses measure and were generally consistent with the attributional theory of peer responses. Low-performer characteristics influenced the peer responses. These effects were mediated in part by peer attributions, affect, and cognitions, which explained variance in the peer responses over and above the variance explained by respondents' personality characteristics (i.e., The Big Five). (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Does whom you work with matter? Effects of referent group gender and age composition on managers' compensation.

Much research has examined gender and age effects on compensation, concluding that a wage gap exists favoring men and negative stereotypes against older workers persist. Although the effect of an employee's gender or age has been widely studied, little work has examined the impact of the demographic characteristics of a focal employee's immediate referent groups (e.g., subordinates, peers, or supervisors) on pay. The effect of the gender and age composition of a focal manager's subordinates, peers, and supervisor on the manager's compensation levels was investigated in a sample of 2,178 managers across a wide range of organizations and functional areas. After controlling for a number of human capital variables, results indicated that not only does a wage gap favoring men exist, but also managerial pay is lower when managers' referent groups are largely female, when subordinates are outside the prime age group, and when peers and supervisors are younger. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

民族特色词语的英汉互译

语言在其发展演变过程中,逐步具有了鲜明的民族文化色彩。阐述了民族特色词语的可译性,并提出了具体的翻译方法。     

吉林闹枝金矿床黄铁矿的标型特征研究

从成因矿物学及找矿矿物学的观点出发，系统地研究了闹枝金矿床黄铁矿的形态、粒度、化学成分、热电性、硫同位素方面的标型特征，为矿床的成因研究和深部远景评价提供了矿物学依据。     

斜拉桥动力特性的参数分析

建立了斜拉桥动力分析的三维有限单元模型 ,研究了单元类型和参数变化对斜拉桥动力特性的影响。详细地讨论了斜拉桥非线性来源 ,并运用 6节点薄壁单元和 4节点索单元分别考虑了斜拉桥弯曲构件和索的非线性特性。通过对一斜拉桥的数值分析 ,得到了关于斜拉桥动力参数敏感性的一般结论。     

Effect of organic dopants on electrodeposition and characteristics of polyaniline under the varying influence of H2SO4 and HClO4 electrolyte media

Electrodeposition of conducting polyaniline (Pani) was made under potentiostatic condition at pH 1.0 in different electrolyte media (H₂SO₄ and HClO₄) in the absence and presence of two organic dopants, disodium salts of naphthalene-1,5-disulphonic acid (NSA) and of catechol-3,5-disulphonic acid (CSA). The rate and yield of Pani deposition were dependent on the acid medium and the dopant employed. NSA in H₂SO₄ caused an increase in rate and yield but CSA decrease when compared to the rate and yield of H₂SO₄ alone. In HClO₄ medium, both the dopants showed a decrease. With regard to DC electrical conductivity, both the dopants exhibited an enhancement in H₂SO₄ medium but NSA a decline in HClO₄. Characterisation of the electrosynthesised polymer samples by various instrumental techniques (cyclic voltammetric: CV, FTIR, UV-Visible: UV-Vis, EPR, XRD, TGA and DTG methods) revealed that between the two acid media, H₂SO₄ was the better one. Further, it enlightened the role of two organic dopants in relation to the acid media. The advantageous role of NSA in H₂SO₄ had origin on its molecular characteristics such as non-polarity, larger π-electron cloud etc., while CSA could not perform such a role because of its easily oxidisable hydroxyl groups. In HClO₄, however, both the dopants could play only an unfavourable role owing to its greater polarity and oxidizing power than H₂SO₄.