Molecular dynamics study of interfacial load transfer capability in amorphous SiOx films deposited on alumina surfaces

Effective adhesion between AlO_x and SiO_x is important for protective coatings and high-k films under extreme operating conditions. Here, we study the chemo-mechanical behavior of the AlO_x/SiO_x interface and its delamination mechanism using all-atom reactive molecular dynamics simulations. The structure of the interface is examined by the formation of bridge oxygen and the distribution of nanopores. The cleavage of ionic bonds during delamination and the resulting adhesion strength of the system are quantified using pull-out simulations. The results reveal the dependence of the nanopores and ionic bond formation on the oxide structure. The ionic bond density at the interface increases as the oxidation of the aluminum surface proceeds, which directly increases the adhesion strength with SiO_x. In particular, the global coordination distribution in the homogeneously grown oxide inhibits the formation of nanopores inside the aluminum substrate and contributes to extremely high adhesion strength. This reveals a fundamental relationship between physicochemical parameters and engineering mechanics for hetero-oxide structure design.     

Shock/expansion fan interaction with real gas effects for Earth and Mars atmospheric conditions

Numerical simulations are performed to investigate the real gas effects on shock/expansion fan interaction. Initial perfect gas simulations at low enthalpy capture the flow structures efficiently and outcomes are found to have excellent agreement with the analytical calculations. Furthermore, the simulations with the real gas solver for different enthalpies showed that the variation in enthalpy significantly changes the flow structures. It is observed that an increase in enthalpy leads to a decrease and increase in the postshock and postexpansion fan Mach numbers, respectively. Another important observation is the decrement in the peak pressure ratio with an increment in the enthalpy. These effects are noted to be more pronounced for Mars's environment due to the higher dependency of specific heat on temperature.     

Concentration fluctuation caused by reaction-diffusion coupling near catalytic active sites

The coupling of reaction and diffusion between neighboring active sites in the catalyst pore leads to the spatiotemporal fluctuation in component concentration, which is very important to catalyst performance and hence its optimal design. Molecular dynamics simulation with hard-sphere and pseudo-particle modeling has previously revealed the non-stochastic concentration fluctuation of the reactant/product near isolated active site due to such coupling, using a simple model reaction of A → B in 2D pores. The topic is further developed in this work by studying the concentration fluctuation due to such coupling between neighboring active sites in 3D pores. Two 3D pore models containing an isolated active site and two adjacent active sites were constructed, respectively. For the isolated site, the concentration fluctuation intensifies for larger pores, but the product yield decreases, and for a given pore size, the product yield reaches a peak at a certain reactant concentration. For two neighboring sites, their distance (d) is found to have little effect on the reaction, but significant to the diffusion. For the same reaction competing at both sites, larger d leads to more efficient diffusion and better overall performance. However, for sequential reactions at the two sites, higher overall performance presents at a smaller d. The results should be helpful to the catalyst design and reaction control in the relevant processes.     

Comprehensive numerical investigations on the thermal performance of heat recirculating micro combustor with pin fins for micro-thermal voltaic system applications

Aiming at improving the relatively low energy output and energy conversion efficiency of the micro-thermal voltaic (MTPV) system, an innovative heat recirculating micro combustor with pin fins is designed. The effects of pin fins arrangement, hydrogen/air equivalent ratio on the energy output and performance of CHMC, HMCP and HMCI are compared and investigated. The result shows that when the V_in is 6 m/s and Φ is 1.0, the emitter power of CHMC is 72.76W, and that of HCMP and HCMI micro combustor are 75.99W and 76.35W. and the emitter efficiency of CHMC, HCMP and HCMI is 41.93%, 43.26% and 44.01%. HMCI has better energy output capability compared with CHMC and HMCP. Even though, HMCI brings a higher pressure drop, it is within the acceptable range. When the V_in is 6 m/s, the pressure drop from the pin fins only accounts for 26.4% of the total pressure drop for HMCI. Through the study of equivalent ratio, it is found that HMCI has good adaptability in different equivalent ratio range. This work provides new ideas for the development of MTPV system in the future.     

Study on vapour dispersion and explosion from compressed hydrogen spill: Risk assessment on a hydrogen plant

Hydrogen produced from renewable resources is one of the cleanest fuels and could be used to store intermittent solar, wind and other energies. The main concern about using hydrogen is its hazards, such as high storage pressure, wide-range flammability, low mass density, and high diffusion. This study investigated the hazards of compressed hydrogen storage by developing a CFD model to understand the gas dispersion behaviour. The model was validated using the past experimental data and showed a good agreement, which could demonstrate the diffusion characteristics and gas stratification of a buoyant gas. A case study of an accidental release of compressed hydrogen from a storage tank was investigated to evaluate the risk of a hydrogen plant. A mathematical model of the jet spill was used to account for the choking effect from a high-pressure release to ensure the input velocity in CFD simulation is suitable for modelling gas dispersion using verified spatial and temporal scales, then the simulation results were used as inputs of vapour cloud explosions (VCEs) to investigate the potential overpressure effect. It was found the CFD model could predict a more reasonable flammable gas amount in cloud than using the bulk hydrogen release rate. The safety distance based on the overpressure prediction was reduced by 35%. The method proposed in this study can provide more validity for the consequence analysis as part of risk assessment.     

Effects of structural parameters on water film properties of transpiring wall reactor

Corrosion and salt deposition problems severely restrict the industrialization of supercritical water oxidation. Transpiring wall reactor can effectively weaken these two problems by a protective water film. In this work, methanol was selected as organic matter, and the influences of vital structural parameters on water film properties and organic matter removal were studied via numerical simulation. The results indicate that higher than 99% of methanol conversion could be obtained and hardly affected by transpiration water layer, transpiring wall porosity and inner diameter. Increasing layer and porosity reduced reactor center temperature, but inner diameter's influence was lower relatively. Water film temperature reduced but coverage rate raised as layer, porosity, and inner diameter increased. Notably, the whole reactor was in supercritical state and coverage rate was only approximately 85% in the case of one layer. Increasing reactor length affected slightly the volume of the upper supercritical zone but enlarged the subcritical zone.     

使能未来工厂的5G能力综述

5G系统将移动通信服务从移动电话、移动宽带和大规模机器通信扩展到新的应用领域，即所谓对通信服务有特殊要求的垂直领域。对使能未来工厂的5G能力进行了全面的分析总结，包括弹性网络架构、灵活频谱、超可靠低时延通信、时间敏感网络、安全和定位，而弹性网络架构又包括对网络切片、非公共网络、5G局域网和边缘计算的支持。希望从广度到深度，对相关的理论及技术应用做透彻、全面的梳理，对其挑战做清晰的总结，从而为相关研究和工程技术人员提供借鉴。     

基于双时间点检测的毫米波雷达人流量监测方法

针对现有基于视频监控的人流量统计方案成本高、算法复杂且不利于个人隐私保护的局限性，利用毫米波雷达体积小、成本低、分辨率高的特点，提出了一种基于双时间点检测的人流量监测方法。该方法先获取人体目标散射点位置和多普勒频移信息来构成点云数据，然后根据多普勒频移正负来判断人体的运动方向，并筛选具有高多普勒频移值的点云数据以降低干扰点对聚类结果的影响；在双时间点对特定区域内人员数量进行统计，并根据双时间点之间所获取的点云数据聚类结果对所统计人员数据进行修正。实验结果表明，该方法能够用匿名的方式以较高的正确率统计人员进出。     

地应力条件下的凿岩爆破数值模拟

为了研究地应力对凿岩爆破的影响,采用DDA方法模拟爆炸应力波作用下考虑地应力条件时的单孔和多孔凿岩爆破破岩过程。模拟发现,随着初始地应力水平的增加,裂纹扩展半径和破岩区域面积减小,裂纹发育主方向趋于地应力的最大主应力方向,初始地应力对裂纹的抑制和引导作用明显;初始地应力水平的增加,对拉伸裂纹的抑制作用更为显著,从而降低了拉伸破坏对爆破破岩的贡献。模拟也表明,在初始地应力存在的条件下,通过对爆破载荷和炮孔布置进行针对性的优化,可以克服地应力带来的影响,并取得预期的爆破效果。本研究对地应力条件下的凿岩爆破工程具有理论和参考意义。     

基于VR技术的智能变电站运行仿真培训系统

为了更加真实、直观地呈现智能变电站的运行整体结构,构建基于VR技术的智能变电站运行仿真培训系统。该系统通过5个模块协同完成智能变电站运行仿真培训,结合实际变电站的设备情况,采用二维纹理映射方法完成变电站设备仿真建模;系统利用虚拟现实交互模块呈现培训场景,参与培训人员能够通过人机交互设备,实现场景漫游和相关培训内容操作。测试结果表明:该系统能够较好地模拟出智能变电站的实际运行情况,参与培训的人员可以身临其境地完成整个变电站的巡视,更真实、直观地呈现智能变电站的整体状态。