Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/ WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of −1.51 and −2.67 eV, respectively. On the other hand, CH₃O stably binds at three-fold and bridge sites, with an adsorption energy of −2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp³ and hydroxyl-like configurations, respectively. Hence, the C atom of CH₂OH preferentially attaches to the top sites, CHOH and CH₂O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH₃OH and CH₂OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH₃OH → CH₂OH → trans-CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH₃OH decomposition pathway and reduces the noble metal utilization.     

一种改进的新三步搜索算法

在对三步法工作原理进行研究的基础上提出了新三步搜索算法（NITSS）。该方法充分利用视频序列运动矢量概率分布上的中心偏置特性．在三步搜索算法的基础上引入了十字型分布的4个点构成搜索点群。实验结果表明。新三步搜索算法解决了三步法的小运动估计效果较差问题．提高了搜索精度，保持了三步法的高效率。     

On the origin of strain hardening in glassy polymers

The influence of network density on the strain hardening behaviour of amorphous polymers is studied. The network density of polystyrene is altered by blending with poly(2,6-dimethyl-1,4-phenylene-oxide) and by cross-linking during polymerisation. The network density is derived from the rubber-plateau modulus determined by dynamic mechanical thermal analysis. Subsequently uniaxial compression tests are performed to obtain the intrinsic deformation behaviour and, in particular, the strain hardening modulus. At room temperature, the strain hardening modulus proves to be proportional to the network density, irrespective of the nature of the network, i.e. physical entanglements or chemical cross-links. With increasing temperature, the strain hardening modulus is observed to decrease. This decrease appears to be related to the influence of thermal mobility of the chains, determined by the distance to the glass-transition temperature (T−T_g).     

泥页岩井壁稳定研究及在临盘地区的应用

从岩石力学和物理化学两个主要因素简要分析了井壁失稳的机理，指出泥页岩井壁失稳是由力学与化学两方面因素共同作用的结果。钻井液与泥页岩存在化学势差，并改变了井壁附近的孔隙压力，降低岩石强度。借助于井壁处有效应力的变化,将泥页岩与钻井液相互作用时页岩水化所产生的力学效应与纯力学效应结合起来，计算出任意井斜方位井眼围岩应力状态，利用测井资料求出有关岩石力学参数和Mohr Couloumb准则，计算得出防塌的临界钻井液密度。     

红外光谱法用于快速测定车用柴油酸度等性质的研究

针对车用柴油酸度等性质测定过程繁琐，采用衰减全反射样品池测定车用柴油的红外光谱，用偏最小二乘法（PLS）建立红外光谱测定车用柴油酸度、密度、闪点和凝点的4个校正模型，验证标准误差分别为0.46 mg/(100 mL),0.77kg/m3,2.60 ℃,2.77 ℃，该方法符合标准方法再现性要求。与标准方法相比，该方法具有无需预处理、操作简单、测量快速、重复性好等优点。     

低阻VDMOSFET的优化设计与制造

文章对9926型双N沟增强型VDMOSFET进行了结构和版图的优化设计。给出了该器件的纵横向结构参数,材料的物理参数和版图总体结构。单胞结构的优化设计使单胞密度达到204万个/cm2,比国际市场现有产品的单胞密度(156万个/cm2)提高了30%。这种设计采用浅n+注入工艺可使器件生产成本下降31%。最后对研制结果进行了分析讨论。     

数据融合在经纬仪引导中的应用

介绍一种用于经纬仪引导数据的处理方法。该方法利用参数估计法对引导数据进行融合，弥补了常规方法的不足。对经纬仪引导数据进行处理，结果表明，该方法可显著提高经纬仪的引导精度，引导误差小于0．50m。     

一般阵列误差情况下信号二维方向角估计

针对均匀圆阵存在一般阵列误差的情况,提出一种信号二维方向角估计方法.基于均匀圆阵的阵列流形和阵列输出的协方差矩阵,采用加权总体最小二乘法估计信号二维方向角.并给出了解整周期性模糊的方法.计算机仿真表明了此方法估计精度高,对阵列误差鲁棒性强,并且各项性能都接近于CRB.     

OFDM系统中同步算法的FPGA 实现

给出了一种用于 OFDM 系统中可同时完成帧起始位置估计和载波频偏估计／补偿的同步算法及其 FPGA 实现方法。采用量化的方法对该不需要额外同步序列的估计算法进行了改进,提高了载波频偏的估计精度,并在数字域进行了频偏校正。在硬件实现上,利用 CORDIC 算法能够有效计算三角函数的特点,把频偏估计和频偏校正过程中的反正切运算和角度旋转操作转化成加法和移位操作,实现了计算精度、运算速度和硬件资源利用三方面性能的兼顾。     

Revised Estimates of Dimension and Exercise Variance Components in Assessment Center Postexercise Dimension Ratings.

The authors reanalyzed assessment center (AC) multitrait-multimethod (MTMM) matrices containing correlations among postexercise dimension ratings (PEDRs) reported by F. Lievens and J. M. Conway (2001). Unlike F. Lievens and J. M. Conway, who used a correlated dimension-correlated uniqueness model, we used a different set of confirmatory-factor-analysis-based models (1-dimension-correlated Exercise and 1-dimension-correlated uniqueness models) to estimate dimension and exercise variance components in AC PEDRs. Results of reanalyses suggest that, consistent with previous narrative reviews, exercise variance components dominate over dimension variance components after all. Implications for AC construct validity and possible redirections of research on the validity of ACs are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)