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。     

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。     

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。     

烧结直接淬火对WC－TiC－Co合金WC相微观结构及力学性能的影响

本文以ＴＥＭ和ＸＲＤ为主要手段，研究ＷＣ－ＴｉＣ－Ｃｏ硬质合金（ＹＴ１４）在直接淬火后ＷＣ相的微观结构和微观应力，比较了常规烧结态与淬火态试样ＷＣ相之间的差异，探讨了直接淬火对合金力学性能的影响。结果表明，在保持合金其他性能不降低的同时，直接淬火的抗弯强度比常规烧结提高２８％左右。并首次发现，经直接淬火热处理的ＹＴＩ４合会中与Ｃｏ相相邻的ＷＣ晶粒边界出现滑移台阶，这是淬火过程中热应力使ＷＣ晶粒内位错在｛０００１｝密排面聚集，并可能沿｛０００１｝＜１１２０＞易滑移系统强滑移的结果。直接淬火试样的微观应力比重新加热淬火的低。     

Formation of WC/Ni hard alloy coating by laser cladding of W/C/Ni pure element powder blend

WC/Ni coating was formed by laser cladding of a W/C/Ni powder blend. The formed WC crystals have rectangular or quadrangle cross-section shapes with size of 2–30 μm. Step, twist and cross growth morphologies of WC formation were observed. The coating contains WC, CW_3, WNi, FeW₃C, Fe₆W₆C, W₃O, W, C, and (Fe,Ni) phases.     

WC/钢复合材料渗硼中WC颗粒对硼化物生长的影响

采用粉末渗硼法,对三种WC含量不同的WC/钢复合材料进行渗硼处理.利用SEM、XRD及自制的黑白图片伪彩色处理仪等方法对渗硼层的组织结构、硬度分布、渗硼层厚度及渗硼层内裂纹萌生进行研究,重点分析了WC含量及分布状况对硼化物生长的影响.结果表明：进行渗硼后,材料表面可获得高硬度FeB＋Fe2B的渗硼层,且随WC含量的增加,Fe2B含量相对增加.在渗硼过程中,WC颗粒对硼化物的生长起阻碍作用,而且含量愈多,阻碍作用愈大,渗硼层愈浅.当WC颗粒的分布方向与渗硼方向平行时,对硼化物生长的阻碍作用最小,渗硼层厚且致密,且在冷却时不易产生裂纹;当WC颗粒的分布方向与渗硼方向垂直时,对硼化物的生长阻碍作用最大,获得的渗硼层较浅,并且在渗层中出现明显的疏松区;当WC粒子呈无序分布,对硼化物的生长阻碍作用介于上面两者之间.硼化物生长时,遇到大颗粒WC其尖端变钝并停止生长;遇到小颗粒WC可以＂吞食＂.     

热应力作用下碳化钨基钢结硬质合金梯形裂纹的形成机理

在自约束型热疲劳试验机上对碳化钨含量不同的钢结硬质合金进行了热疲劳试验，用金相显微镜和扫描电镜对热疲劳裂纹扩展行为进行了研究。结果表明：在热应力作用下，不仅在合金的表面，在合金的内部都形成了“梯形”裂纹。这种形态的裂纹是由试样缺口处的热疲劳裂纹扩展而引起的，合金中的钢基体相阻碍裂纹扩展，而WC硬质相诱导裂纹扩展，这两种因素的综合作用促使热疲劳裂纹成“梯形”扩展。分析认为：使WC粒子在钢基体中均匀分布，提高钢基体的热疲劳抗力，从而来阻止梯形裂纹的形成，是提高碳化钨钢锆硬质合金抗热疲劳性能的有效途径。