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.     

Significant population genetic structuring in Rhyzopertha dominica across Turkey: Biogeographic and practical implications

Rhyzopertha dominica is a key pest of stored grain. Understanding the movement of this beetle on broad geographic scales is crucial, particularly when developing strategies to prevent the spread of phosphine resistance. We assessed population genetic structuring in this pest across Turkey, using a combination of mitochondrial (cytochrome oxidase I) and microsatellite markers. In addition, we screened samples for Wolbachia, as this endosymbiont has previously been suggested to be associated with low mitochondrial genetic diversity in this beetle. Mitochondrial genetic diversity was low, with only six haplotypes identified. The genetic diversity was, however, substantially higher than that previously found in Australia or India, suggesting that R. dominica may have originated in the Middle East. Wolbachia were detected only at a single site, indicating they are not impacting the mitochondrial genetic diversity of R. dominica across Turkey. Microsatellite markers indicated there is significant geographic genetic structuring across Turkey, even among sites less than 100 km apart, suggesting there is little movement of beetles across regions within the country. This contrasts with the significantly higher levels of gene-flow found in Australia and the United States. We suggest that the limited movement of beetles across Turkey may be due to a combination of the historically localised agricultural practices (which limits anthropogenic movement among regions), and the mountainous landscape (which limits active flight among regions). Our results demonstrate that the movement of stored product pests may differ significantly across studies conducted in different countries. As a consequence, phosphine resistance management strategies must incorporate region specific information on the extent of beetle movement.     

A model for semiconductor quantum dot molecule based on the current spin density functional theory

Based on the current spin density functional theory, a theoretical model of three vertically aligned semiconductor quantum dots is proposed and numerically studied. This quantum dot molecule (QDM) model is treated with realistic hard-wall confinement potential and external magnetic field in three-dimensional setting. Using the effective-mass approximation with band nonparabolicity, the many-body Hamiltonian results in a cubic eigenvalue problem from a finite difference discretization. A self-consistent algorithm for solving the Schrödinger-Poisson system by using the Jacobi-Davidson method and GMRES is given to illustrate the Kohn-Sham orbitals and energies of six electrons in the molecule with some magnetic fields. It is shown that the six electrons residing in the central dot at zero magnetic field can be changed to such that each dot contains two electrons with some feasible magnetic field. The Förster-Dexter resonant energy transfer may therefore be generated by two individual QDMs. This may motivate a new paradigm of Fermionic qubits for quantum computing in solid-state systems.     

Windows2000设备驱动程序即插即用的实现

概述了Windows2000即插即用系统组成及其实现过程,结合实例介绍了Windows2000设备驱动程序如何支持用户即插即用的功能。     

架起试井理论和应用间的桥梁

分析指出试井理论和应用之间存在的问题，提出构架试井理论和应用之间桥梁的基础，明确构架桥梁的方法和手段。根据目前国内外试井理论和应用的发展状况，指出试井理论和试井分析方法应用的发展趋势。     

高分辨率阵列感应测井仪在河南油田的应用

文章介绍了美国Baker-Atlas公司研制生产的高分辨率阵列感应成像测井仪（HDIL）,简述了该仪器的工作原理和技术性能指标及主要应用范围,并介绍了高分辨率阵列感应测井（HDIL）资料在河南南阳油田的具体应用实例.     

灰色预测模型在油气操作成本预测中的应用

油气操作成本是油气田生产消耗的主要项目，为了有效地控制油气操作成本，必须制定准确的油气操作成本计划。而油气操作成本在我国是最近几年才提出来的，数据项比较少，给油气操作成本预测带来一定的难度。为此，文章根据灰色预测的基本原理，采用灰色系统理论进行油气操作成本预测，就可以弥补对预测所需的数据少，而且也无须剔除不可比因素，只要所建模型能满足精度要求，预测结果就可以信赖。     

应用API 581对输气站场进行定量风险评价

目前专门针对输气站场的风险评价方法还不多，现有的手段也只是根据国家法律法规得出定性的评价结果，然后按照评价结果对照得出整改方案。为此，对输气站场的定量风险评价工作提出了一套新方法，得到了定量的和更加客观的风险排序，为管道站场的完整性管理工作提供了有力的支持；并以陕京输气管道榆林压气站为例，应用美国石油学会标准API 581（基于风险检测的基本源文件）对站内设施进行了风险评价，计算了站内设备和管线的失效后果、失效概率，得到了定量风险值，进而分析了风险值产生差异的原因。最后，针对我国输气管道风险评估工作提出了看法和建议。     

天然气产业链下游市场风险评价模型探讨

随着我国天然气主干管网的逐步形成，天然气产业链下游市场正在进入快速成长阶段，建立风险预警系统的重要性开始显现，而风险评价模型是其基础工作之一。文章在天然气产业链下游区域市场风险评价指标体系的基础上，综合运用层次分析法和灰色系统理论，建立了对天然气产业链下游区域市场风险评价的模型，并以各区域市场的用气量占全国总用气量的比重为权重，建立起完整的市场风险评价模型，可为评价天然气产业链下游市场整体市场风险时参考。