作者机构：
[毛聪; 张健; 龙春光; 余小峰; 唐昆; 汤旺] Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, Education Department of Hunan Province, Changsha University of Science and Technology, Changsha, China;[彭平] College of Materials Science and Engineering, Hunan University, Changsha, China;[毛聪; 张健; 龙春光; 余小峰; 唐昆; 汤旺] Key Laboratory of Security Design and Reliability Technology for Engineering Vehicle, Education Department of Hunan Province, Changsha University of Science and Technology, Changsha, China
通讯机构：
Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, Education Department of Hunan Province, Changsha University of Science and Technology, Changsha, China
作者机构：
[张健; 汤旺; 邵磊; 余小峰; 龙春光] College of Automobile and Mechanical Engineering, Changsha University of Science and Technology, Changsha;410114, China;Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, Education Department of Hunan Province, Changsha;[陈荐] Key Laboratory of Efficient and Clean Energy Utilization, Education Department of Hunan Province, Changsha;[张健; 余小峰; 龙春光] 410114, China<&wdkj&>Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, Education Department of Hunan Province, Changsha
通讯机构：
[Zhang, J.] C;College of Automobile and Mechanical Engineering, Changsha University of Science and Technology, Changsha, China
摘要：
In this paper, short basalt fiber-reinforced polyoxymethylene (POM) composites were prepared by melt blending and injection molding. The mechanical and tribological properties of the composites were studied by an orthogonal experiment. It was found that the optimal combination of fiber length 4 mm, fiber content 20 wt% and treated with KH550 would result in a comprehensive property which is 27.45% higher tensile strength, 9.65% higher impact strength and 18.11% higher flexural strength with compared to that of pure POM. But its tribological properties would be worse with the addition of the basalt fibers. After incorporating 10 wt% of polytetrafluoroethylene (PTFE) into the composites, the tribological properties of the composites was improved, closed to that of pure POM, with an insignificant decrease to their mechanical properties. Moreover, the morphology of fracture surfaces and worn surfaces evaluated by scanning electron microscopy showed good agreement with the results of the literature.
作者机构：
[Liu, C. H.; Guo, F. Y.; Long, C. G.; Zhang, J.; Zhang, Z.] Changsha Univ Sci & Technol, Inst Automobile & Mech Engn, Changsha 410114, Hunan, Peoples R China.;[Guo, F. Y.; Long, C. G.; Zhang, J.; Zhang, Z.] Chongqing Univ Technol, Minist Educ, Key Lab Mfg & Test Techn Automobile Parts, Chongqing 400054, Peoples R China.;[Guo, F. Y.; Long, C. G.; Zhang, J.; Zhang, Z.] Coll Hunan Prov, Key Lab Lightweight & Reliabil Technol Engn Vehic, Changsha 410114, Hunan, Peoples R China.;[Yu, K.] Cent South Univ, Dept Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China.
通讯机构：
[Long, C. G.] C;Changsha Univ Sci & Technol, Inst Automobile & Mech Engn, Changsha 410114, Hunan, Peoples R China.
关键词：
Adsorption;Al(1 1 1);Density functional theory (DFT);Dissociation
摘要：
Using the first-principles calculations method based on the density functional theory, we systematically study the adsorption behavior of a single molecular H2O on a clean and a pre-adsorbed O atom Al(1 1 1) surface, and also its corresponding dissociation reactions. The equilibrium configuration on top, bridge, and hollow (fcc and hcp) site were determined by relaxation of the system relaxation. The adsorptions of H2O, OH and H on top sites are favorable on the Al(1 1 1) surface, while that of O on the hollow (fcc) site is preferred. The results show that the hydrogen atom dissociating from H2O needs a 248.32 kJ/mol of energy on clean Al(1 1 1) surface, while the dissociating energy decreases to 128.53 kJ/mol with the aid of the O absorption. On the other hand, these phenomena indicate that the dehydrogenated reaction energy barrier of the pre-adsorbed O on metal surface is lower than that of on a clean one, because O can promote the dehydrogenation of H2O.
摘要：
Using experimental and first-principles calculations methods, a systematic investigation was performed on the dehydrogenation properties and mechanisms of MgH2-10 wt%G (graphene) composites acquired by ball milling. It was found that the doping of G played a vital catalytic role in improving the dehydrogenation properties of MgH2. SEM (scanning electron microscopy) observations revealed that G sheets were dispersedly embedded in MgH2 particles, which effectively inhibited the agglomerating of MgH2 particles during ball milling. XRD (X-ray diffraction) analyses showed that no new phases formed due to the immiscibility between MgH2(Mg) and G. DSC (Differential Scanning Calorimetry) and DTG (Differential Thermal Gravity) measurements indicated the initial dehydrogenation temperatures of MgH2-G composites were decreased and their dehydrogenation rate were also increased relative to pure-milled MgH2. The mechanisms analyses based on first-principles calculations suggested that the improved dehydrogenation properties of MgH2-G composites should be ascribed to the reduced dehydrogenation enthalpy and dehydrogenation activation energy of MgH2 upon the catalytic role of G.
作者机构：
[Mao C.; Long C.G.; Tang K.; Zhang M.J.] Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, The Education Department of Hunan Province, Changsha University of Science and Technology, Changsha, 410114, China;[Chen J.] Key Laboratory of Efficient and Clean Energy Utilization, College of Hunan Province, Changsha University of Science and Technology, Changsha, 410114, China;[Peng P.] College of Materials Science and Engineering, Hunan University, Changsha, 410082, China;[Zhang J.] Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, The Education Department of Hunan Province, Changsha University of Science and Technology, Changsha, 410114, China<&wdkj&>Key Laboratory of Efficient and Clean Energy Utilization, College of Hunan Province, Changsha University of Science and Technology, Changsha, 410114, China
通讯机构：
[J. Zhang; C. Mao] K;Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, The Education Department of Hunan Province, Changsha University ofScience and Technology, Changsha 410114, China<&wdkj&>Key Laboratory of Efficient and Clean Energy Utilization, College of Hunan Province, Changsha University of Science and Technology, Changsha 410114, China<&wdkj&>Key Laboratory of Lightweight and Reliability Technology for Engineering Vehicle, The Education Department of Hunan Province, Changsha University ofScience and Technology, Changsha 410114, China
