Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals. We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation (GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature. We also obtain much closer agreement with experiment than earlier, more approximate calculations.     

An original approximate method for estimating the invariant probability distribution of a large class of multi-dimensional nonlinear stochastic oscillators

This paper proposes an original method for obtaining analytical approximations of the invariant probability density function of multi-dimensional Hamiltonian dissipative dynamic systems under Gaussian white noise excitations, with linear non-conservative parts and nonlinear conservative parts. The method is based on an exact result and a heuristic argument. Its pertinence is attested by numerical tests.     

单根氧化锌纳米带/Au电极体系I-V特性的测量

利用电子束刻蚀和真空蒸镀法，在单要氧化锌纳米带和SiO2/Si片上，制备了金纳米电极，采用四端法对氧化锌带的电流-电压（I-V）特性进行测量。实验发展氧化锌纳米带/金电极组成的体系存在三种完全不同的I-V特性曲线，分别为对应于较淖电阻的非对称阀值型曲线以及电阻较大的整流型和线性对称曲线，我们认为这主要是由于氧化锌纳米带和电极的接触情况不同所造成的。测量表明器件在不同环境下（空气和真空）具有不同的I-V特性，表面在当测量环境由空气变为真空时，前一类的I-V特性变化不大，而后一类由整流型变为线性对称型。     

粉煤灰超细玻珠复配轻集料在固井低密度水泥浆中的作用

阐述了粉煤灰超细玻珠复配轻集料在固井低密度水泥浆中对其流变性能、强度、质量均匀性以及密度的影响和作用机理。表明该复配轻集料可以明显改善水泥浆的流动性、保水性以及水泥与高效外加剂的相容性,水泥石抗压和抗折强度有显著改善,水泥浆具有良好的质量均匀性,用该集料配制的超低密度水泥浆能满足固井要求,并由此提高固井的经济性。     

西部地区深井井身结构设计技术探讨

科学合理地确定井身结构及钻井液密度是深井超深井钻井的关键环节之一，其基础是准确建立地层孔隙压力、地应力、破裂压力、坍塌压力的钻前预测剖面。分析了西部地区目前深井井身结构的缺点和进行井身结构应考虑的问题，介绍了深探井井身结构的设计方法，并针对西部复杂地区的地层特点，建议采用3种增加技术套管的井身结构方案。塔河油田钻井实践表明，采用这3种井身结构方案后，深井机械钻速得到提高，钻井周期缩短，而且降低了钻井成本。     

Phase behavior,density, and crystallization of polyethylene in n‐pentane and in n‐pentane/CO2 at high pressures

The phase behavior and volumetric properties of polyethylene (PE) in solutions of n‐pentane and n‐pentane/CO₂ were studied in a temperature (T) range of 370–440 K at pressures up to 60 MPa. Measurements were conducted with a variable‐volume view‐cell system equipped with optical sensors to monitor the changes in the transmitted light intensity as the P or the T of the system was changed. Lower‐critical‐solution‐temperature‐type behavior was observed for all of the liquid–liquid (L–L) phase boundaries, which shifted to higher pressures in solutions containing CO₂. The solid–fluid (S–F) phase boundaries were investigated over a P range of 8–54 MPa and took place in a narrow T range, from 374 to 378 K in this P interval. The S–F phase boundary showed a unique feature in that the demixing temperatures showed both increasing and decreasing trends with P depending on the P range. This was observed in both the PE/n‐pentane and PE/n‐pentane/CO₂ mixtures. The density of these solutions were measured as a function of P at selected temperatures or as a function of T at selected pressures that corresponded to the paths followed in approaching the phase boundaries (S–F or L–L) starting from a homogeneous one‐phase condition. The data showed a smooth variation of the overall mixture density along these paths. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 89: 2201–2209, 2003     

低密度微泡沫压井液的研究与应用

吐哈油田部分区块地层压力系数小于0.9,常规水基压井液对储层伤害大,若使用油基压井液成本高,环境污染严重。通过实验优选出了一种低密度水基微泡沫压井液。该压井液具有密度低、泡沫强度高、稳定性好、携砂能力强等优点。现场应用表明,低密度微泡沫压井液稳定时间大于48 h,密度在0.70~0.99 g/cm3之间可调,抗油污染能力强,抗油大于8%,抗温在100℃以上,岩心污染后渗透率恢复值大于80%;并且施工方便,成本低,具有储层保护能力,使用微泡沫压井液的井表皮系数在0.20~2.34之间。     

用一种免疫遗传算法求解频率分配问题

频率分配是一NP完全问题,本文用一种基于免疫调节机制的免疫遗传算法来求解.该算法结构类似于遗传算法;核心思想是将个体集构造为抗体网络,利用免疫浓度调节机制在个体层次调节个体的多样性,同时利用免疫网络调节理论在种群层次调整个体多样性和群体收敛性之间的动态平衡,从而克服了一般遗传算法的不足.本文同时用该算法解决固定频率分配和最小跨度频率分配问题,取得了较好的效果.     

Patterning issues for the fabrication of sub-micron memory capacitors' electrodes

This paper describes some of the key issues associated with the patterning of metal electrodes of sub-micron (especially at the critical dimension (CD) of 0.15 μm) dynamic random access memory devices. Due to reactive ion etching lag, the Pt etch rate decreased drastically below the CD of 0.20 μm and thus K-th storage node electrode with the CD of 0.15 μm could not be fabricated using the Pt electrodes. Accordingly, we have proposed novel techniques to surmountly-the above difficulties. The Ru electrode cannot for the stack-type structure is introduced and alternative multischemes based on the introduction of the concave-type selfstructure upto using semi-Pt or Ru as an electrode material are outlined respectively.     

HDPE／PS／HDPE－g－PS合金的相容性和力学性能研究

用自制接枝共聚物ＧＲ－Ⅰ、ＧＲ－Ⅱ相容剂研究其对ＨＤＰＥ／ＰＳ共混物相容性和力学性能的影响。通过ＳＥＭ、ＤＭＡ、ＤＳＣ和力学性能测试表征，表明在ＨＤＰＥ／ＰＳ共混中加入这些相容剂其相容性和力学性能有一定提高