The investigation of the physical properties and hydrogenated mechanism of TM5Si4 (TM=Ti,Zr, Hf)

The outstanding physical properties make TM₅Si₄ silicides become the potential silicon-based transition-metal ultrahigh-temperature materials. In present work, we adopt the first-principles scheme to explore the structural stability, mechanical properties and explain the hydrogenated mechanism of Ti₅Si₄, Zr₅Si₄ and Hf₅Si₄ using the electronic structures. And the investigation increases the theoretical support for the developments and applications of TM₅Si₄ silicides. Three hydrogenated models have shown that the hydrogen displays the stability for hydrogenated TM₅Si₄ compounds. Furthermore, the introduction of hydrogen occupation has weakened the elastic properties of TM₅Si₄. The metallic property of TM₅Si₄ and three hydrogenated models was confirmed by the electronic structures. The localized hybridization between hydrogen and TM₅Si₄ confirm the hydrogenated structural stability.     

Facile synthesis of a carbon-rich SiAlCN precursor and investigation of its structural evolution during the polymer-ceramic conversion process

A liquid carbon-rich SiAlCN precursor is facilely synthetized by hydrosilylation between liquid polyaluminocarbosilane (LPACS) and 1,3,5,7-tetravinyl- 1,3,5,7-tetramethylcyclotetrasilazane {[CH₃(CH₂CH₂)SiNH]₄} (TeVSZ). The structural evolution during the polymer-ceramic conversion process is investigated by various methods. The results show that the main cured mechanism is β-addition on hydrosilylation, although α-addition on hydrosilylation, polymerization of vinyl groups and dehydrocoupling reaction between N–H bonds also occur during the cured process. During the pyrolysis process, dehydrogenation and dehydrocarbonation condensation reactions, transamination reactions occur, leading to formation of a three-dimensional network inorganic structure at 400–800 °C, where part of Al–O bonds convert to Al–N bonds. Then the network inorganic structure undergoes demixing and separation into amorphous SiAlCN(O) phase, where the amorphous turbostratic free carbon phase also form at 800–1200 °C. With demixing and decomposition of the amorphous carbon-rich SiAlCN(O) phase, the crystalline β-SiC and graphitic carbon start to form at about 1400 °C, the crystalline sizes of them both enlarge with increasing temperature. However, the crystal growth of β-SiC is distinctly inhibited due to existence of the rich carbon phase, tiny amounts of Al₂O₃ and AlN. In addition, a small amount of AlN can promote the formation of α-SiC at 1800 °C.     

Effects of water and carbon dioxide pressure on the adhesion of Na2SiO3 and K2SiO3 binders on silica sand surface: Comparison of experimental data and molecular dynamics simulation

In this study, the effects of different water amounts, CO₂ blowing pressures, Na₂O:SiO₂ and K₂O:SiO₂ ratios were studied on the bonding strength of Na₂SiO₃ and K₂SiO₃ binders. It was concluded that the increase in water content had an adverse effect on the bonding strength of CO₂-hardened Na₂SiO₃ sand. The blowing pressure did not have a linear relationship with the bonding strength, but it was closely related to the diffusion coefficient of CO₂. Based on scanning electron microscopic results, it was inferred that the low strength was caused by the formation of lamellar crystals after the adhesive was hardened. It was found that the low strength was caused by the formation of lamellar crystals after the adhesive was hardened. Based on molecular dynamics simulations, different pressures and water contents had a great influence on the diffusion coefficient of CO₂ in the silicate binder system. This research provides an important theoretical background to improve the technology of CO₂-hardened Na₂SiO₃- and K₂SiO₃-bonded sands during the casting process.     

Improved Corrosion Resistance of Selective Laser Melted Ti–5Cu Alloy Using Atomized Ti–5Cu Powder

The different types of metal powder used for selective laser melting(SLM) process would cause distinct corrosion behavior due to the uniformity of the obtained microstructure.The SLM-produced Ti–5Cu alloy using atomized Ti–5Cu metal powder(SLMed Ti–5Cu) in this work reveals a relatively uniform microstructure with overwhelming acicular α/α′ phase and shows great advantages on corrosion resistance compared with the SLM-produced Ti–5Cu alloy using the mixture powder(SLMedM Ti–5Cu).The effect of the micro-galvanic cells decreases due to the undetectable Ti_2Cu phase in the microstructure of the SLMed Ti–5Cu.An apparent passivation behavior was observed for SLMed Ti–5Cu instead of severe pitting phenomenon for the SLMed-M Ti–5Cu.The charge transfer resistance of SLMed Ti–5Cu in this work is 10.09 ± 2.63 MΩ cm~2, which is significantly higher than that of SLMed-M Ti–5Cu(4.76 MΩ cm~2).The above result indicates the atomized Ti–5Cu powder plays an important role in the formation of the uniform microstructure of SLMed product, thereby enhancing its corrosion resistance in Hank's solution at 37 ℃.     

外加同步磁场对短路过渡CO2焊接过程的影响

短路过渡CO₂气体保护焊由于低成本、高效率、便于实现全位置焊接，广泛应用在工业制造领域，但是在焊接过程中，特别是在较高的焊接电流下，存在许多诸如飞溅，成形差，过渡过程不稳定等问题. 文中提出了一种通过施加同步磁场来改善焊接中存在的问题的新方法. 研究了不同类型的燃弧段同步磁场对焊接过程的影响. 用激光作为背光，采用高速摄像系统拍摄焊接过程，观察熔滴过渡过程，计算熔滴的大小和过渡频率等. 结果表明，在纵向同步磁场的作用下，可以有效地减少燃弧时间；施加同步磁场后，熔滴过渡频率范围都得到不同程度的缩小，熔滴过渡过程更稳定，并且在纵向磁场I_m(LMF) = 200 A时，熔滴的过渡频率大幅增加；磁场作用下，带尖角的熔滴变为圆润无尖角的球形或椭球的熔滴，熔滴的尺寸减小.     

自保护药芯焊丝明弧堆焊Fe-Cr-C-B-W合金的组织及性能

采用自保护药芯焊丝明弧堆焊技术制备五组不同钨含量的Fe-Cr-C-B-W合金. 借助金相显微镜、扫描电子显微镜、X射线衍射仪、洛氏硬度计和磨损试验机分析堆焊合金的组织及性能. 结果表明，合金的显微组织由马氏体、残余奥氏体、M₇(C,B)₃，M₃(C,B)，Fe₃W₃C和WC组成. 大部分钨元素被迁移到晶界生成了比WC稳定性更好的Fe₃W₃C缺碳复合相，堆焊层中没有典型的初生WC硬质相颗粒生成. 随着钨添加量的增多，共晶硬质相M₇(C,B)₃，M₃(C,B)和Fe₃W₃C随之增多，间距减小，呈连续网状均匀分布. 当钨的添加量为12%时，堆焊层的耐磨性达到最佳.     

Insight into the vacancy effects on mechanical and electronic properties of Tantalum Silicide

The effects of the vacancies on the structural stability, elastic constants, elastic moduli, brittle-to-ductile transition and electronic properties of Tantalum Silicide (TaSi₂) are investigated in detail by first-principles calculations. The values of vacancy formation energy confirm that the perfect TaSi₂ and TaSi₂ with different atomic vacancies can exhibit the structural stability at ground state. It is found that Ta atom vacancies are more stable than Si atom vacancies in TaSi₂ with vacancies. The elastic constants and elastic moduli describe the mechanical behavior for TaSi₂ and TaSi₂ with vacancies. The different atomic vacancies weaken the elastic stiffness for TaSi₂. But the values of B/G confirm that the brittle-to-ductile transition occurs with different atomic vacancies for TaSi₂. Although these vacancies make the shear and volume deformation resistance of TaSi₂ weaker, they obviously improve the brittle behavior of TaSi₂. The difference charge density and electronic structures are calculated to discuss and analyze the structural stability and mechanical properties for the perfect TaSi₂ and TaSi₂ with vacancies.     

亲子乐园空调送风方式的数值模拟研究

大型综合室内亲子乐园属于高大空间,设有游乐设施和游戏的特殊性使得对空间的舒适性要求一致,但是送风气流遇阻严重,室内存在较多气流死角,影响室内空气质量和儿童健康。因此其空调设计不仅需要考虑温度、风速的空间均匀度,还要考虑各点的空气龄和PMV-PPD指标。以天津某亲子乐园为研究对象,利用scSTREAM软件对适用于该房间的辐射供冷加新风、置换通风、混合通风三种空调方式的送风效果进行数值模拟分析,从流场的均匀性、人员的热舒适性等方面对模拟结果进行探讨,研究结果表明辐射供冷加新风方式的空间均匀性和PMV指标最佳,混合通风方式的空气龄最小。