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.     

WC/Cu复合材料制备及其高温性能

用机械合金化法结合冷变形，制备了WC／Cu复合材料，研究了冷变形后复合材料的组织特征和高温退火时韵性能变化。结果表明：烧结后的材料经冷变形，组织呈显著纤维状，WC颗粒弥散分布，密度明显提高，达到理论密度的99．2％；复合材料经600～900℃高温退火，强度和硬度略有下降，塑性则有大幅提高；900℃退火时未发生明显的再结晶，界面结合良好；所制备的WC／Cu复合材料有优良的综合性能。     

激光熔覆专用铁基合金粉末的研究进展

指出了目前防止熔覆层开裂所采取的主要措施中存在的问题,阐述了激光熔覆和热喷涂对于所用合金粉末性能要求之异同,评述了激光熔覆专用铁基合金粉末的研制现状,提出了成分与组织设计的新思想。     

Preparation of Plate Fe_(60)Co_8Zr_(10)Mo_5W_2B_(15) Bulk Amorphous Alloy and Its Fracture Toughness

1Introduction Duwez[1]synthesizedthefoilAu Siamorphousalloyforthefirsttimewithrapidsolidification,whichinitiatedthepreparationofamorphousalloysintheprocessofalloysolidification,andthereaftertheresearchonamorphousal loysdevelopedrapidly.Since1980s,withthec…     

WC对Cu/WC_P复合材料性能及组织的影响

通过ＷＣ含量对ＷＣ／Ｃｕ复合材料性能的影响，确定了冷压－烧结法制备Ｃｕ／ＷＣ材料的适宜ＷＣ含量为１０ｖｏｌ％左右。并就ＷＣ对该材料组织和再结晶行为的影响进行了有益的探讨。     

一种制备磁性粉末的新技术--均匀颗粒成型法

采用均匀颗粒成型法（Uniform Dropler Spray-UDS）制备Fe基合金粉末，该方法制备的颗粒粒度分布均匀，性能一致，大大优于传统的粉末制备方法（如破碎法、气雾化），具有广阔的应用前景。本文分析了粉末制备过程中颗粒尺寸的影响因素，结果表明：颗粒的大小主要取决于坩埚底部小孔、坩埚内外气体压强差以及振荡频率三个独立变量。     

WC对铜基和镍基喷焊覆层材料耐气蚀性能的影响

在CuNiSiB,NiCrSiB自熔合金粉末中添加WC陶瓷颗粒，利用氧乙炔焰粉末喷焊工艺制备覆层材料，用超声波振动气蚀仪对覆层材料进行耐气蚀性能研究，用扫描电子显微镜对覆层材料表面气蚀破坏形貌进行观察，结果表明：复合覆层材料的耐气蚀能力比基体强；提高CuNiSiB覆层材料耐气蚀能力的途径是强化晶界，还探讨了覆层材料的气蚀破坏机理。     

Relation between microstructure, properties and spark plasma sintering (SPS) parameters of pure ultrafine WC powder

A combined experimental/numerical methodology is developed to fully consolidate pure ultrafine WC powder under a current-control mode. Three applied currents, 1900, 2100 and 2700 A, and a constant pressure of 20 MPa were employed as process conditions. The developed spark plasma sintering (SPS) finite-element model includes a moving-mesh technique to account for the contact resistance change due to sintering shrinkage and punch sliding. The effects of the heating rate on the microstructure and hardness were investigated in detail along the sample radius from both experimental and modeling points of view. The maximum hardness (2700 HV10) was achieved for a current of 1900 A at the core sample, while the maximum densification was achieved for 2100 and 2700 A. A direct relationship between the compact microstructure and both the sintering temperature and the heating rate was established.     

WC含量对弥散强化铜Cu/WC组织与性能影响的研究

对以WC粒子为第二相的弥散强化铜材料的组织与性能进行了研究。在同样条件下，用机械混料方法制备了不同WC含量的Cu/WC复合材料，分别测定了其密度，电阻率和硬度，结果表明：WC粒子是一种较为理想的弥散相，并且WC体积含量为1.2%时，细小的球形状第二相粒子均匀分布，弥散效果好，材料密度，硬度较高，而电阻率较小，综合性能较好。     

电脉冲快速退火对铁基非晶合金性能的影响

采用大电流交流脉冲对非晶Ｆｅ７８Ｂ１３Ｓｉ９合金进行了去应力退火。初步探讨了电脉冲加热对加热速率和该合金内应力释放、退火脆化以及最终软磁性影响的基本规律。结果表明：电脉冲加热可以得到远高于常规退火的加热速率，选择合适工艺参数可使非晶合金内应力释放９０％，软磁性（Ｈ＿ｃ和Ｂ＿ｓ）达常规退火后的９５％以上，与此同时使合金的延性（断裂应变ε＿ｆ）维持在０．９以上，从而有望实现非晶合金磁性与延性的合理配合。