Study of Materials Deformation in Nanometric Cutting by Large-scale Molecular Dynamics Simulations

Nanometric cutting involves materials removal and deformation evolution in the surface at nanometer scale. At this length scale, atomistic simulation is a very useful tool to study the cutting process. In this study, large-scale molecular dynamics (MD) simulations with the model size up to 10 millions atoms have been performed to study three-dimensional nanometric cutting of copper. The EAM potential and Morse potential are used, respectively, to compute the interaction between workpiece atoms and the interactions between workpiece atoms and tool atoms. The material behavior, surface and subsurface deformation, dislocation movement, and cutting forces during the cutting processes are studied. We show that the MD simulation model of nanometric cutting has to be large enough to eliminate the boundary effect. Moreover, the cutting speed and the cutting depth have to be considered in determining a suitable model size for the MD simulations. We have observed that the nanometric cutting process is accompanied with complex material deformation, dislocation formation, and movement. We find that as the cutting depth decreases, the tangential cutting force decreases faster than the normal cutting force. The simulation results reveal that as the cutting depth decreases, the specific cutting force increases, i.e., “size effect” exists in nanometric cutting.     

外界供给参数对PEMFC输出性能及水热平衡的影响

为了改善质子交换膜燃料电池(PEMFC)内部的水热平衡,从而进一步改善PEMFC的输出性能,文章建立了PEMFC的三维模型,通过改变PEMFC的外界供给参数(进气速度、加湿率以及冷却水流速),应用COMSOL模拟仿真得到了PEMFC的极化曲线和功率曲线、流道和气体扩散层(GDL)的水浓度分布情况,以及冷却水流速对PEMFC温度的影响。研究结果表明:随着进气速度和加湿率的逐渐增加,PEMFC的输出性能均逐渐提升,但是,过高的加湿率可能导致电极水淹;随着冷却水流速的增加,PEMFC温度加速下降,膜内温度分布变得更均匀。     

Quantitative evaluation and factors of gas-wetness in gas/liquid/solid systems

After altering the wetness of porous media from preferentially liquid-wet to preferentially gas-wet, gas well production will increase greatly in gas condensate reservoirs. Since the gas-wet degree seriously affects the production, it has both theoretical and practical value to study quantitative measurement and effect factors for gas wettability. In the study, using the sessile drop and the captive bubble, the gas-wet quantitative evaluation methods and criteria have been put forward. Glass slides, treated by the fluorocarbon polymer Zonyl8740, were used as gas-wetness measurement substrates in order to eliminate the roughness effect. The calculation of slide surface free energy and slide/water interface free energy was determined by two models, respectively, Owens-Wendt and the captive bubble two-probe method. The results show that, if the solid surface free energy is less than solid/liquid interface free energy, the surface or the interface will be preferential gas-wetting, otherwise, non gas-wetting; with the decrease of surface free energy and interface free energy, the gas-wetting gets strong. Thus, it is effective to realize gas-wetness by lowering the value of surface free energy or surface tension.     

Microwave plasma chemical vapor deposition of nano-structured Sn/C composite thin-film anodes for Li-ion batteries

A novel synthesis method of thin-film composite Sn/C anodes for lithium batteries is reported. Thin layers of graphitic carbon decorated with uniformly distributed Sn nanoparticles were synthesized from a solid organic precursor Sn(IV) tert-butoxide by a one-step microwave plasma chemical vapor deposition (MPCVD). The thin-film Sn/C electrodes were electrochemically tested in lithium half cells and produced a reversible capacity of 423 and 297 mAh g⁻¹ at C/25 and 5C discharge rates, respectively. A long-term cycling of the Sn/C nanocomposite anodes showed 40% capacity loss after 500 cycles at 1C rate.     

基于GT-SUITE的柴油机VVA系统设计及优化

开发了一种可用于柴油机可变气门执行系统,即VVA系统（Variable Valve Actuation）。在概念设计阶段使用GT-suite软件对柴油机VVA系统进行原理验证及模型搭建,通过多体动力学仿真,预测系统的运动学规律及动力学特性,并对系统可能出现的失效进行了优化。系统成功实现了气门二次开启及开启持续期可变功能,节省了大量系统零部件的详细设计时间,论证了柴油机搭载VVA系统的可行性。     

Li-decorated graphyne as high-capacity hydrogen storage media: First-principles plane wave calculations

Taking into account the van der Waals correction, the characteristics of the Li-decorated graphyne as the hydrogen storage medium have been explored using first-principles plane wave calculations. We find that Li atom can be adsorbed not only over the center of large hexagon (H_L site) but also over the center of small hexagon (H_S site). For double-side Li decorations, there are 14H₂ molecules can be adsorbed on Li-decorated graphyne primitive cell with the adsorption energy of 0.19 eV/H₂. As a result, the hydrogen storage capacity of 13.0 wt% can be obtained. This suggests that the Li-decorated graphyne system can serve as a high-capacity hydrogen storage medium.     

Preparation and hydrogen storage property of Mg-based hydrogen storage composite embedded by polymethyl methacrylate

A novel embedded Mg-based hydrogen storage nanocomposite was prepared by mechanical milling of hydriding combustion synthesized (HCS) Mg-based hydride and hydrogen permissive/oxygen prohibitive polymer. The Mg-based hydride was mechanically milled with tetrahydrofuran solution of polymethyl methacrylate (PMMA) under argon atmosphere. It is determined by X-ray diffraction (XRD) analysis that the average grain size of all the milled nanocomposites become smaller and the nanocomposites exhibit a good air-stable property. The microstructures of the nanocomposites obtained by Field emission scanning electron microscopy (FESEM) and High-resolution transmission electron microscopy (HRTEM) analyses show that Mg₉₅Ni₅ particles embedded by PMMA have a diameter of smaller than 100 nm, approximately. The nanocomposites show the optimal hydriding/dehydriding properties, requiring 60 min to absorb 3.37 wt.% hydrogen at low temperature of 473 K, and desorbing as high as 1.02 wt.% hydrogen within 120 min at the same temperature. The onset dehydriding temperature of the composites is about 373 K, which is 150 K lower than that of HCS products Mg₉₅Ni₅.     

Model simplification and optimization of a passive wind turbine generator

In this paper, the design of a “low cost full passive structure” of wind turbine system without active electronic part (power and control) is investigated. The efficiency of such device can be obtained only if the design parameters are mutually adapted through an optimization design approach. For this purpose, sizing and simulating models are developed to characterize the behavior and the efficiency of the wind turbine system. A model simplification approach is presented, allowing the reduction of computational times and the investigation of multiple Pareto-optimal solutions with a multiobjective genetic algorithm. Results show that the optimized wind turbine configurations are capable of matching very closely the behavior of active wind turbine systems which operate at optimal wind powers by using a MPPT control device.     

Morphology effect on the electrochemical performance of NiO films as anodes for lithium ion batteries

NiO films were prepared by chemical bath deposition and electrodeposition method, respectively, using nickel foam as the substrate. The films were characterized by scanning electron microscopy (SEM) and the images showed that their morphologies were distinct. The NiO film prepared by chemical bath deposition was highly porous, while the film prepared by electrodeposition was dense, and both of their thickness was about 1 μm. As anode materials for lithium ion batteries, the porous NiO film prepared by chemical bath deposition exhibited higher coulombic efficiency and weaker polarization and its specific capacity after 50 cycles was 490 mAh g⁻¹ at the discharge–charge current density of 0.5 A g⁻¹, and 350 mAh g⁻¹ at 1.5 A g⁻¹, higher than the electrodeposited film (230 mAh g⁻¹ at 0.5 A g⁻¹, and 170 mAh g⁻¹ at 1.5 A g⁻¹). The better electrochemical performances of the film prepared by chemical bath deposition are attributed to its highly porous morphology, which shorted diffusion length of lithium ions, and relaxed the volume change caused by the reaction between NiO and Li⁺.     

影响注塑模内贴标成型因素及产品设计探讨

简介了注塑模内贴标成型原理、工艺和应用发展趋势,根据实际产品的应用案例分析了注塑模内贴标在塑料产品成型过程中的影响因素和工艺要点,提出了模内贴标塑料模具的特点及其设计的一般原则,分析了模内贴标产品的常见缺陷,并给出了改善措施.