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.     

Electronic properties of magnetically doped nanotubes

Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).     

脉冲液体射流泵时均值基本方程中的流速系数

运用非恒定的动量方程和时均值计算方法,对脉冲液体射流泵时均值基本方程中的流速系数进行了理论研究,推导出了喉管和喉管进口段流速系数φ2和φ5的计算式。通过与恒定射流的流速系数计算式对比,阐明了脉冲频率是影响φ2和φ5的主要因素,沟通了脉冲射流与恒定射流流速系数之间的关系。     

厚膜永磁阵列微致动器的磁路研究

研究了厚膜永磁阵列微致动器中的磁场分布，并研究了永磁阵列单元几何尺寸对微致动器电磁力的影响。结果表明，厚膜永磁阵列单元高宽比和磁体单元间隔对微致动器电磁力影响较大磁徕单元高宽比为0．7是一个比较合适的尺寸。     

罗茨真空泵主轴输入端动密封问题探讨

分析了罗茨真空泵轴封漏油的原因，介绍了提高轴封有效性的措施。     

活化疏松剂用于过磷酸钙生产的性能研究

介绍了在过磷酸钙中添加活化疏松剂的试验情况及运用效果。试验结果表明 :添加活化疏松剂后鲜肥转化率提高 4.0 % ,产品物性得到改善 ,结块倾向明显降低。     

燕皮传统加工工艺中碱液对肉糜特性的影响

燕皮是以猪肉和甘薯粉为原料,手工制成的薄如纸且经煮不烂的传统食品。在传统制作燕皮过程中添加山榉灰配制的碱液是影响肉糜品质的关键步骤。通过测定制作燕皮过程中各工序样品的氮溶解指数、持水性、乳化稳定性、pH值和粘度,利用SDS-PAGE分析样品中的蛋白质组分、利用光学显微镜观察它们的结构变化,证实植物碱液能够提高样品的氮溶解指数、持水性和乳化稳定性并且延迟了肉糜硬化。同时实验证明碳酸碱(Na2CO3或K2CO3)可替代传统工艺中的植物碱,为后续标准化、工业化生产提供可行条件。     

多晶硅衬底上的RF MEMS开关

在微机械开关与硅IC工艺设计和兼容方面进行了改进,获得了一种可与IC工艺兼容的RFMEMS微机械开关.采用介质隔离工艺技术把这种RFMEMS微机械开关制作在绝缘的多晶硅衬底上,实现了与IC工艺兼容;采用在金属膜桥的端点附近刻蚀一些孔的优化方法,降低了RFMEMS微机械开关的下拉电压.用TE2 819电容测试设备测试开关的电容,测得开关的开态电容、关态电容和致动电压分别为0 32 pF、6 pF和2 5V .用HP875 3C网络分析仪对RFMEMS微机械开关进行了RF特性测试,得出RFMEMS微机械开关在频率1 5GHz下关态的隔离度为35dB ,开态的插入损耗为2dB ,用示波器测得该开关的开关     

Enhanced thermal stability of a sputtered titanium-nitride film as a diffusion barrier for capacitor-bottom electrodes

The effect of a thin RuO_x layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuO_x/TiN/doped poly-Si/Si stack structure over the post-deposition annealing temperature ranges of 450–600°C. The Ru/TiN/poly-Si/Si contact system exhibited linear behavior at forward bias with a small increase in the total resistance up to 600°C. The RuO_x/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no formation of a thin RuO_x layer at the RuO_x surface and porous-amorphous microstructure. In the former case, the addition of oxygen at the surface layer of the Ru film by pre-annealing leads to the formation of a thin RuO_x layer and chemically strong Ru-O bonds. This results from the retardation of oxygen diffusion caused by the discontinuity of diffusion paths. In particular, the RuO_x layer in a nonstoichiometric state is changed to the RuO₂-crystalline phase in a stoichiometric state after post-deposition annealing; this phase can act as an oxygen-capture layer. Therefore, it appears that the electrical properties of the Ru/TiN/poly-Si/Si contact system are better than those of the RuO_x/TiN/poly-Si/Si contact system.