Carbon corrosion mechanism on nitrogen-doped carbon support — A density functional theory study

In this work, density functional theory (DFT) calculations were used to investigate the mechanism of carbon corrosion on nitrogen-doped carbon support. Free energy diagrams were generated based on three proposed reaction pathways to evaluate corrosion mechanisms. The most energetically preferred mechanism on nitrogen-doped carbon was determined. The results show that the step of water dissociation to form ^#OH was the rate-determining step for gra-G-1N (graphene doped with graphitic N) and pyrr-G-1N (graphene doped with pyrrolic N). As for graphene doped with pyridinic N, the step of C^#OC^#O formation was critical. It was found that the control of nitrogen concentration was necessary for precisely designing optimized carbon materials. Abundance of nitrogen moieties aggravated the carbon corrosion. When the high potential was applied, specific types of graphitic N and pyridinic N were found to be favorable carbon modifications to improve carbon corrosion resistance. Moreover, the solvent effect was also investigated. The results provide theoretical insights and design guidelines to improve corrosion resistance in carbon support through material modification by inhibiting the adsorption of surface oxides (OH, O, and OOH).     

Evolutionary collective behavior decomposition model for time series data mining

In this research, we propose a novel framework referred to as collective game behavior decomposition where complex collective behavior is assumed to be generated by aggregation of several groups of agents following different strategies and complexity emerges from collaboration and competition of individuals. The strategy of an agent is modeled by certain simple game theory models with limited information. Genetic algorithms are used to obtain the optimal collective behavior decomposition based on history data. The trained model can be used for collective behavior prediction. For modeling individual behavior, two simple games, the minority game and mixed game are investigated in experiments on the real-world stock prices and foreign-exchange rate. Experimental results are presented to show the effectiveness of the new proposed model.     

Electrochemically deposited Fe2O3 nanorods on carbon nanofibers for free-standing anodes of lithium-ion batteries

Fe₂O₃ nanorod/carbon nanofiber (CNF) composites were prepared by the electrochemical deposition of Fe₂O₃ on a web of CNFs, which was then used as a free-standing anode. The conductive, three-dimensional structure of the CNF web allowed for the electrodeposition of the Fe₂O₃ nanorods, while its high conductivity made it possible to use the composite as a free-standing electrode in lithium-ion batteries. In addition, it was easy and cheap to fabricate by a simplification of a process of cell preparation. The nanorod-like Fe₂O₃ structures could only be electrodeposited on the CNFs; flake-like Fe₂O₃ was formed on flat conductive glass substrates. It can be attributed to the different growth mechanism of Fe₂O₃ on the CNFs because of the large number of reaction sites on the CNFs, differences in the precursor concentration and diffusivity within the CNF web. The formation of aggregates of the Fe₂O₃ particles on thicker CNFs also indicated that the CNFs had determined the Fe₂O₃ growth mechanism. The synthesised Fe₂O₃/CNF composite electrode exhibited stable rate capacities at different current densities. This suggested that CNF-based composite did not exhibit the intrinsic disadvantages of Fe₂O₃. Finally, carbon coatings were deposited on the Fe₂O₃/CNF composites to further improve their electronic conductivity and rate capability.     

Design of functionalized α-Fe2O3 (III) films with long-term anti-wetting properties

The design of functional anti-wetting ceramic coatings is always a bottleneck restricting the development of ceramic techniques. This study proposes a liquid phase synthesis method to fabricate α-Fe₂O₃ (III) ceramic powders with promising applications and introduces a facile electrophoretic deposition (EPD) technique to construct the corresponding functionalized hydrophobic films – superhydrophobic functionalized α-Fe₂O₃ ceramic films (SFOFS) with roughly even distribution and a high water contact angle (CA) of 169°±1° – followed by heat posttreatments. The microtopography and crystalline structures of the product were investigated by FESEM, EDX, and XRD techniques. The EPD controllability of SFOFS was studied by adjusting the EPD time and the applied field strengths. In addition, the SFOFS show excellent long-term anti-wetting properties for twenty-four months after undergoing a series of tests, including soaking, water droplet impacting, immersion by droplets with different surface tensions and exposure to different gases and relative humidity conditions, etc. This study substantially helps the design of other kinds of functional anti-wetting films through the proposed convenient method beyond the oxide limit.     

Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study

The site preferences of co-alloying elements (Mo–Ta, Mo–Re, Mo–Cr) in Ni₃Al are studied using first-principles calculations, and the effects of these alloying elements on the elastic properties of Ni₃Al are evaluated by elastic property calculations. The results show that the Mo–Ta, Mo–Re and Mo–Cr atom pairs all prefer Al–Al sites and the spatial neighbor relation of substitution sites almost has no influence on the site preference results. Furthermore, the Young's modulus of Ni₃Al increases much higher by substituting Al–Al sites with co-alloying atoms, among which Mo–Re has the best strengthening effect. The enhanced chemical bondings between alloying atoms and their neighbor host atoms are considered to be the main strengthening mechanism of the alloying elements in Ni₃Al.     

On recommendation problems beyond points of interest

Recommendation systems aim to recommend items or packages of items that are likely to be of interest to users. Previous work on recommendation systems has mostly focused on recommending points of interest (POI), to identify and suggest top-k items or packages that meet selection criteria and satisfy compatibility constraints on items in a package, where the (packages of) items are ranked by their usefulness to the users. As opposed to prior work, this paper investigates two issues beyond POI recommendation that are also important to recommendation systems. When there exist no sufficiently many POI that can be recommended, we propose (1) query relaxation recommendation to help users revise their selection criteria, or (2) adjustment recommendation to guide recommendation systems to modify their item collections, such that the users׳ requirements can be satisfied.We study two related problems, to decide (1) whether the query expressing the selection criteria can be relaxed to a limited extent, and (2) whether we can update a bounded number of items, such that the users can get desired recommendations. We establish the upper and lower bounds of these problems, all matching, for both combined and data complexity, when selection criteria and compatibility constraints are expressed in a variety of query languages, for both item recommendation and package recommendation. To understand where the complexity comes from, we also study the impact of variable sizes of packages, compatibility constraints and selection criteria on the analyses of these problems. Our results indicate that in most cases the complexity bounds of query relaxation and adjustment recommendation are comparable to their counterparts of the basic recommendation problem for testing whether a given set of (resp. packages of) items makes top-k items (resp. packages). In other words, extending recommendation systems with the query relaxation and adjustment recommendation functionalities typically does not incur extra overhead.     

Willingness to pay and preferences for alternative incentives to EV purchase subsidies: An empirical study in China

The transport sector's promotion of electric vehicles (EVs) is an important tool in reducing greenhouse gas emissions. The high monetary subsidies widely used to promote EV diffusion in many countries are not sustainable in the long term. Therefore, effective alternative incentives are needed as subsidies are gradually phased out. In this paper, consumers' willingness to pay (WTP) for alternative incentives is studied based on a questionnaire survey. Using a discrete choice experiment, 1719 Chinese consumer questionnaires were collected. Consumers' WTP for nine alternative policies was calculated by applying the multinomial logit model and mixed logit model, and the mixed logit model is used as the main model of this study because of its better statistical performance. Finally, the relationship between the respondent heterogeneity and policy preferences was studied. The results show that alternative incentives can fill the gap produced by subsidy reductions. EV privileges like no restrictions on driving and purchases, which have the lowest implementation cost, are suitable for first- and second- tier cities. For second-tier cities, construction of more charging stations is the most appropriate choice. The heterogeneous features of the respondents, including cities of residence, type of vehicle owned, recognition of the environmental benefits of EVs, gender, and whether the family has children, had a significant impact on policy preferences.     

SiC/SiC mini-composites with multilayer ZrSiO4 interphase: Room-temperature properties and toughening mechanism

SiC/SiC mini-composites reinforced with SiC fibers coated with different numbers of ZrSiO₄ sublayers prepared via a non-hydrolytic sol-gel process were fabricated. The tensile strength and work of fracture of the prepared SiC/SiC mini-composites were determined, and the relationship between their mechanical properties and fracture morphologies was discussed. The toughening mechanism and the variation tendency of their mechanical properties were further elaborated by analyzing the interfacial debonding morphologies of the SiC/SiC mini-composites with 1 and 4 layers of ZrSiO₄ interphase as well as the results of prior studies. A relatively rare phenomenon—the delamination of the multilayer ZrSiO₄ interphase in the SiC/SiC mini-composites but not on the SiC fibers—was observed, which clearly demonstrated the weak bonding between the ZrSiO₄ sublayers in the SiC/SiC mini-composites. The ZrSiO₄ sublayer delamination mechanism was then explained based on the high-magnification morphologies found in and beside the ZrSiO₄ interphase.     

Tungsten-based heterogeneous multilayer structures via diffusion bonding

Recent work has shown that tungsten (W) and other refractory metals with body-centered cubic (bcc) structures exhibit certain novel behavior when their grain size, d, is refined into the ultrafine (UFG, 100 nm < d < 1000 nm) or nanocrystalline (NC, d < 100 nm) regime. For example, it has been shown that bcc refractory metals with such microstructures show decreased strain rate sensitivity besides their elevated strength and vanishing strain hardening response. Consequently, under both quasi-static and high-strain-rate loading, plastic instability in the form of shear banding becomes the dominant mode of plastic deformation. Such behavior is long sought-after in certain applications. However, due to the technology used to refine the grain size (primarily severe plastic deformation), the inability to scale the dimensions of the material may limit wider use and application of UFG/NC bcc refractory metals. In this work, the feasibility was demonstrated of production of large-scale W parts using a diffusion bonding method. The microstructure, preliminary mechanical properties, and issues and challenges associated with the fabrication procedures were examined and discussed. It is envisioned that diffusion bonding may serve as a promising technology for scaled-up fabrication of UFG bcc refractory metals for the targeted application.