一种“KooN”结构的马尔可夫简并建模和简化计算的方法

IEC61508等标准提出了几种计算安全仪表系统需求时平均失效概率的方法,但是,对于具有冗余配置的复杂系统,随着组件数量的增加,系统的中间状态数量快速增长,用户难以构建马尔可夫模型,即便借助计算机来建模运算也较为耗时。提出了一种同型“K oo N”简并状态的马尔可夫建模的通用方法,首先是根据降级状态进行判断,将符合条件的状态进行简并,然后对标记为危险失效状态的概率进行计算。通过严格的理论推导,该简并状态方法可以在不损失精度的前提下简化马尔可夫建模。     

箱形横梁的水压爆破拆除

某电影院大厅内钢筋混凝土箱形横梁长25m,断面尺寸1 6m×2 4m,用水压爆破拆除。通过梁的受力分析得知,为避免横梁的挠度过大,在吊梁拆除后必须另补支撑,以确保水压爆破正常进行。文中对水压爆破炸药用量的计算公式进行了比较和简评。在参考计算结果和考虑厅内环境的基础上,并结合以往水压爆破工程的经验,确定了合理、有效的药量,保证了主体结构的绝对安全。     

Thermodynamic calculation and microstructure characterization of spinel formation in MgO–Al2O3–C refractories

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.     

α钛富氧层增厚动力学模型

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。     

钨中空位及其团簇的能量学和动力学性质参数

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（V_n>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V_n与V_n-1之间的Wigner-Seitz面积之差呈正比。     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

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.     

天然气新型气液分离器性能试验研究

为了解决天然气含有饱和水汽和少量烃降低输气效率、堵塞管线和设备等问题,利用旋风子、稳流元件、叶栅式分离元件、折流板式分离元件组合成新型天然气分离器。利用相位多普勒粒子分析仪对新型天然气分离器进出口粒子粒径与液态水含量的进行对比测试,以研究新型分离器的分离效率。结果表明:新型分离器具有良好的气液分离作用;在流量为10～64 m~3/h时,分离器的分离效率成抛物线形式,在33 m~3/h时分离器的分离效率降到最低值95.16%,主要原因是流量在33 m~3/h时,试验气液混合不均匀,导致内部流态紊乱,以至于试验测得分离效率相对偏低;在流量为10 m~3/h时分离器分离效率最高,为99.29%;分离器对该进口条件的气体中雾状液粒有较高的分离作用,且可以明显降低分离器出口气体中液粒的平均粒径;从进口到气相出口压力逐渐降低,总压降为950 Pa;流动区域速度梯度大不利于气液相分离,流动掺混会导致分离效率降低。     

水位骤降对下伏隧道堤防安全影响研究

建立了考虑水位骤降条件下的下伏隧道堤防模型,依托湘江某下伏隧道堤防工程,基于堤防边坡渗流原理,结合有限元应力计算,探讨了不同水位骤降速率下的浸润线情况,计算了堤防安全系数。研究结果表明:湘江水位骤降速率越快,浸润线变化范围越大,浸润线变化范围与水位降落速率成正比;湘江水位骤降速度在3 m/d^4 m/d,水位降到28.8 m时,堤岸失去稳定;水位骤降并非整个过程中堤岸均处于失稳状态,而是水位降至某高度后堤岸失稳,骤降速率增快对堤防安全系数有一定负面作用。研究结果对隧道下穿堤防建设具有一定指导意义。     

A first-principles investigation on mechanical and metallic properties of titanium carbides under pressure

The titanium carbides are potential candidates to achieve both high hardness and refractory property. We carried out a structural search for titanium carbides at three pressures of 0 GPa, 30 GPa and 50 GPa. A phase diagram of the Ti-C system at 0 K was obtained by elucidating formation enthalpies as a function of compositions, and their mechanical and metallic properties of titanium carbides were investigated systematically. We also discussed the relation of titanium concentration to the both mechanical and metallic properties of titanium carbides. It has been found that the average valence electron density and tractility improved at higher concentrations of titanium, while the degree of covalent bonding directionality decreased. To this effect, the hardness of titanium carbide decreases as the content of titanium increases. Our results indicated that the titanium content significantly affected the metallic properties of the Ti-C system.