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《Ceramics International》2022,48(11):15525-15532
In this paper, by simulating the gas phase conditions inside the MgO–Al2O3–C refractories during continuous casting process and combining with thermodynamic analysis, as well as SEM analysis, the gas-gas and gas-solid formation of MA spinel were clarified in carbon containing refractories. Thermodynamic calculations showed that gas partial pressure of CO, O2 and Mg could meet the formation and stable existence conditions of MA spinel in MgO–Al2O3–C refractories under service environment, and nitrogen could not affect the formation of MA spinel at 1550 °C in the thermodynamic condition. The formation processes of MA spinel were analyzed experimentally under embedding carbon atmosphere. The carbon-coated alumina powders in MgO–Al2O3–C refractories prevented the direct contact between magnesia and alumina. Mg gas was formed by carbon thermal reaction, then reacted with alumina (gas-solid) and gas containing aluminum (gas-gas) to generate MA spinel. Through gas-gas or gas-solid reaction, the formation of MA spinel was effectively controlled. By means of SEM analysis, a two-layer structure with dense outer spinel layer and loose inner layer was formed in MgO–Al2O3–C refractories. 相似文献
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为了实现在工业化生产中对α钛富氧层厚度预测和控制,通过实验研究α钛富氧层在高温空气环境中的形成及增厚过程,讨论热处理温度和时间的影响作用,建立高温(750~850℃)空气环境下关于温度、时间的富氧层增厚动力学模型。结果表明:当恒温热处理温度为750~850℃时,α钛富氧层厚度x与保温时间t0.5呈正比例关系,且升高热处理温度可显著提高富氧层增厚速度。在此温度范围内,氧原子的扩散激活能约为203473 J/mol,计算曲线与实验数据吻合性较好。结合文献中已有的扩散系数方程和实验测得的富氧层厚度数据,推导得到5个富氧层增厚动力学方程,其中3个方程的计算曲线与实验数据吻合性较好,可为实际生产中预估富氧层厚度提供理论支持。 相似文献
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在总结前人钨中空位及其团簇的能量学和动力学行为的研究成果基础上,采用第一性原理方法系统计算了钨中空位及其团簇的结合能和扩散能垒。研究发现,交换关联泛函PW91和PBE较PBEsol、AM05和LDA更适合用于计算钨空位的能量学性质。基于第一性原理计算结果对文献中单空位形成能、双空位作用性质等争议性问题进行了讨论,并对钨经验势进行了评估。研究结果表明,钨中孤立单空位间总是相互排斥,而空位团簇(Vn>3)对单空位具有很强的吸引作用,其结合能随着所含空位个数增多呈现波动性增大的趋势。空位团簇稳定结构可通过最小化Wigner-Seitz表面积来确定,其结合能与Vn与Vn-1之间的Wigner-Seitz面积之差呈正比。 相似文献
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The phase shift characteristics reflect the state change of electromagnetic wave in plasma sheath and can be used to reveal deeply the action mechanism between electromagnetic wave and plasma sheath. In this paper, the phase shift characteristics of electromagnetic wave propagation in plasma were investigated. Firstly, the impact factors of phase shift including electron density,collision frequency and incident frequency were discussed. Then, the plasma with different electron density distribution profiles were employed to investigate the influence on the phase shift characteristics. In a real case, the plasma sheath around the hypersonic vehicle will affect and even break down the communication. Based on the hypersonic vehicle model, we studied the electromagnetic wave phase shift under different flight altitude, speed, and attack angle. The results indicate that the phase shift is inversely proportional to the flight altitude and positively proportional to the flight speed and attack angle. Our work provides a theoretical guidance for the further research of phase shift characteristics and parameters inversion in plasma. 相似文献
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Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl3) and hexamethyldisilazane (HN(SiMe3)2) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl3 and HN(SiMe3)2 to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl3 and HN(SiMe3)2 alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl3 with more heat released compared to that for the introduction of HN(SiMe3)2. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions. 相似文献
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《Ceramics International》2022,48(20):29601-29613
Sliding wear behaviors of atmospheric plasma-sprayed Yttria Stabilized Zirconia (YSZ) coating mated with four metallic or ceramic counterparts (Si3N4, Al2O3, GCr15 and ZrO2) were investigated. It has been found that YSZ coatings in contact with Si3N4 and GCr15 show better tribological performances than the other cases, which is due to the formation of the tribolayer mainly consisting of Si3N4 and Fe2O3 respectively on the worn surfaces. In the case of YSZ coating-Al2O3 and YSZ coating-ZrO2 tribopairs, the wear debris are more irregular and larger in size, resulting in severe abrasive wear and brittle fracture of debris particles. In particular, the specific wear rate of YSZ coating sliding against GCr15 is negative due to the significant material transfer of the tribo-oxide layer, while that of YSZ coating sliding against ZrO2 is the highest. Amorphization of the wear particles appears in the four cases due to the repeated mechanical action. It has been demonstrated that the wear of YSZ coating deteriorates with the increased flash temperature between the contact surfaces during rubbing process. 相似文献