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61.
62.
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. 相似文献
63.
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. 相似文献
64.
65.
西部地区深井井身结构设计技术探讨 总被引:3,自引:2,他引:1
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。 相似文献
66.
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 相似文献
67.
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。 相似文献
68.
The motional transition and heterogeneity of semi‐interpenetrating networks (SIPNs) based on polyurethane (PU) with carboxylic groups and methacrylic copolymer (PM) with tertiary amine groups were studied by the electron spin resonance (ESR) spin probe method. The concentration of functional groups in both prepolymers varied from 0 to 0.45 mmol g?1. Spin‐probed SIPNs show that the temperature‐dependent spectra are sensitive to polymer interactions imposed by functional groups. These interactions determine the free volume distribution in the matrix and temperature at which motional transition takes place. The fraction of free volume increases with functional group concentration and reaches its maximum at 0.25 mmol g?1. Further increases in the functional group concentration reduce the free volume. The results of the networks with strong interactions are discussed in terms of the interference of the plasticizing effect of the PU component and the formation of possible cluster cross‐links, which restricts segmental motions. Copyright © 2003 Society of Chemical Industry 相似文献
69.
HDPE/PS/HDPE-g-PS合金的相容性和力学性能研究 总被引:1,自引:0,他引:1
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 相似文献
70.
地壳应力场和密度场资料在油气检测中的应用 总被引:3,自引:1,他引:2
依据卫星轨道摄动测量结果反演的地壳区域构造应力场和密度场资料,可圈定油气区域构造圈闭和储集油气的低密度层。计算绘制了闽江口扇形洲区域构造应力场和密度卫星遥感图,图上显示出东海近海闽浙中拗陷含油气带与温东丽水油气构造带相接,敖江口官岭与闽江口川石储岛沥青苗等迹象都在此范围内,在闽江口扇形洲东部沿海沙泥沉积区,邻区东海宽长带深厚海沙软泥沉积区及本区北部罗源湾,用大地电磁CSAMT检测到1000-3000m深度范围内的低阻率地层,与本区卫星遥感图图低密度场相符。 相似文献