Synthesis and characterization of hydrogenated novel AlCrFeMnNiW high entropy alloy

A novel high entropy alloy (HEA) i.e. AlCrFeMnNiW is synthesized via high-energy planetary ball milling with an average crystallite size of 10.37 nm. The morphology study of hydrogenated and dehydrogenated HEA is carried out through Scanning Electron Microscope (SEM). The HEA is charged with hydrogen using inhouse Sievert's Apparatus which results to be maximum hydrogen storage capacity of 0.615 wt% at atmospheric pressure and temperature. The dehydrogenation of the sample is performed through thermogravimetry (TG) at different scanning rate. The crystalline structure (i.e. lattice parameters) and chemical composition of HEA is studied using X-Ray Diffraction (XRD) and Energy Dispersive X-Ray analysis (EDX) respectively. The unit cell volume of as-prepared alloy is estimated as 0.03131 nm³ whereas the average crystallite size as 10.37 nm. It is observed that the unit cell volume is increased by 0.67% and crystallite size decreased by 10.8% upon hydrogenation whereas it is then decreased by 0.2% and increased by 6.7% respectively upon dehydrogenation. Activation energy during hydrogen desorption is found to be −8.161 kJ/mol. The enthalpy and entropy of the mixing are estimated to be −2.645 kJ/mol and 1.793 R J/mol K.     

First principles computational studies of spontaneous reduction reaction of Eu(III) in eutectic LiCl‐KCl molten salt

Using first principles calculations, we study fundamental mechanism of spontaneous reduction reaction of Eu³⁺ to Eu²⁺ in eutectic LiCl‐KCl molten salt. We decouple the reaction Gibbs free energy into enthalpy and entropy contributions by using rigorous thermodynamic formalism. Key structural features of the solvation shell are characterized by the radial distribution function and the coordination number. Compared with Eu²⁺, the Eu³⁺ ion has a more rigid framework of the solvation shells, corroborating its stronger electrostatic interaction with neighboring ligands of Cl^? ions and a more favorable state on the aspect of enthalpy. Computations on vibrational frequency, however, pose significant contribution of vibrational entropy to the reaction Gibbs free energy for the reduction. Vibration frequency of Eu²⁺ is smaller than that of Eu³⁺, driving a more positive change of the entropy in the reduction reaction. Furthermore, an Eu²⁺ diffuses more quickly than an Eu³⁺ in the LiCl‐KCl molten salt with switching mechanism of ligand Cl^? ions in the solvation shell. Our results propose that the spontaneity of the reduction reaction is driven by the entropic contribution by overcoming the penalty of the reaction enthalpy.     

Effect of thermomechanical processing on microstructure and mechanical properties of CoCrFeNiMn high entropy alloy

The CoCrFeNiMn high entropy alloy was produced by homogenization, cold rolling and recrystallization. The effects of thermomechanical processing on microstructures and tensile properties at different temperatures were investigated using X-ray diffractometry (XRD), optical microscopy (OM), scanning electron microscopy (SEM) and multi-functional testing machine. The results show that dendritic structures in cast alloy evolve into equiaxed grains after being recrystallized, with single face-centered cubic (FCC) phase detected. The most refined alloys, stemming from the highest rolling ratio (40%), exhibit the highest strength due to the grain boundary strengthening, while the variation of elongation with temperature shows a concave feature. For the coarse-grained alloys, both the ductility and work hardening ability decrease monotonically with increasing temperature. Serrated flow observed at intermediate temperatures is attributed to the effective pinning of dislocations, which manifests the occurrence of dynamic strain hardening and results in the deterioration in ductility. Besides, dimples on the fracture surfaces indicate the typical ductile rupture mode.     

基于信息熵—集对分析的煤矿隐患排查治理风险评估模型

以煤矿安全隐患排查治理风险为研究对象，分析隐患排查闭环管理全过程，并基于此建立了隐患排查治理能力纵向评估指标体系，融合熵值法和集对分析理论，建立了煤矿安全隐患排查治理风险纵向评估模型，为企业更好地了解自身隐患排查治理能力及变化发展趋势提供参考，最后进行了实例分析。     

冷轧退火对FeMnCoCrAl高熵合金组织和力学性能的影响

使用真空电弧炉熔炼出(Fe₅₀Mn₃₀Co₁₀Cr₁₀)₉₄Al₆合金,利用冷轧及在不同温度对合金进行退火,以期望得到由多尺度再结晶晶粒构成的层状结构;并对不同退火温度的样品进行拉伸性能测试。利用扫描电镜和EBSD对合金组织形貌进行表征,采用X射线衍射方法研究其相组成。结果表明:合金在铸态和冷轧后相组成未发生变化,700 ℃退火得到较好的多尺度再结晶晶粒的层状结构,其屈服强度为487 MPa,抗拉强度为708 MPa,断后伸长率为39%,表现出良好的综合力学性能。     

涡流空气分级机熵产与分级性能分析

利用热力学第二定律中的熵产理论对涡流空气分级机各不可逆因素引起的熵产进行分析，通过粉料分级试验对其分级性能进行验证，获得了黏性熵产、湍流熵产和壁面熵产分布特点及操作参数对熵产和分级精度的影响规律。熵产分析结果表明，涡流空气分级机内湍流熵产和壁面熵产占总熵产的比例高达56.41%和43.11%，湍流熵产主要产生于转笼叶片间和转笼内部，进风口和细粉出口壁面剪切引起较大壁面熵产；此外，转笼转速和进口风速变化分别仅对转笼区域和切向进风口区域内气流运动熵产影响较大，进口风速-转笼转速处于8.6m/s、 800r/min和18m/s、1200r/min操作工况附近时，涡流空气分级机内总熵产/总能变化率较小，分级流场稳定性较高，对粗、细颗粒分离有利，该工况下分级机的粉料分级试验效果较好，说明熵产理论可用于涡流分级机内流动分析及其操作参数的优化匹配。     

基于综合赋权与集对分析的煤炭企业安全评价

安全评价是发现系统风险,提高生产安全性的有效手段。运用集对分析理论对煤炭企业生产安全性进行分析与评价。根据SHEL模型,结合煤炭企业实际对生产中的风险因素进行分析,确定了煤炭企业安全评价指标体系;将熵权法与超标倍数赋权法相组合来确定各评价指标的综合权重,基于集对分析理论构建了煤炭企业安全评价模型。将构建的指标体系和评价模型在平煤集团5个生产矿井进行了应用,结果显示,利用集对分析得到的评价结果与实际情况基本吻合。     

基于改进交叉熵算法的电力系统随机生产模拟

蒙特卡洛模拟的计算效率与系统的可靠性密切相关，在其用于高可靠性系统的随机模拟时存在计算效率偏低的问题。为此，提出了一种基于多层交叉熵与对偶变数抽样技术相结合的随机模拟算法。首先使用多层交叉熵构造零方差概率密度函数的近似函数，提高小概率失效事件的抽取概率；其次基于已构造的近似概率函数，采用对偶变数抽样法进行抽样，进一步提高抽样的收敛速度。以IEEE RTS修改系统为例进行了算例分析，算例结果验证了所提出的基于改进交叉熵的电力系统随机生产模拟算法的有效性。     

Formation and properties of high entropy oxides in Co-Cr-Fe-Mg-Mn-Ni-O system: Novel (Cr,Fe,Mg,Mn,Ni)3O4 and (Co,Cr,Fe,Mg,Mn)3O4 high entropy spinels

Possibility of formation of quinary and senary equimolar high entropy oxides from the Co-Cr-Fe-Mg-Mn-Ni-O system is presented. Different proposed compositions are synthesized using the solid-state reaction route at high temperatures (900−1100 °C) and quenched to room temperature. Phase composition of the samples is studied, showing tendency toward formation of two main phases: rock salt-structured Fm-3 m and spinel-structured Fd-3 m. It is documented that the annealing temperature has a profound effect on stability of both structures, and at 1100 °C usually the highest content of Fm-3 m phase is usually observed. Three different oxides, namely, (Co,Cr,Fe,Mn,Ni)₃O₄, (Co,Cr,Fe,Mg,Mn)₃O₄ and (Cr,Fe,Mg,Mn,Ni)₃O₄ are obtained as single-phase materials, which structure can be described as the high entropy Fd-3 m spinel one. The latter two compounds have not been previously reported in the literature. Activated character of the electrical conductivity dependence on temperature is observed, with relatively high total conductivity at high temperatures and corresponding high absolute values of Seebeck coefficient.     

带有方形肋及双倾斜肋片的细通道内流动、传热和熵产分析

为了探究带有方形肋及双倾斜肋片细通道的流动换热及熵产特性，设计了2种带有方形肋及双倾斜肋片的组合细通道(MCDS-L, MCDS-R)，然后采用数值模拟的方法分析其流动特性、传热特性和熵产特性，并将其分析结果同2种方形肋细通道(MCS-L, MCS-R)和一种双倾斜肋片细通道(MCD)进行对比。结果表明，在所研究的雷诺数范围内，组合通道的摩擦阻力系数基本一致且均高于其他3组通道(MCS-L, MCS-R, MCD) 。此外，组合通道的努塞尔数均高于其他3组通道，而熵产增大数均低于其他3组通道。其中，MCDS-L通道的努塞尔数最大，熵产增大数最低。表明MCDS-L通道的换热效果最佳，能量的综合利用程度最高。研究成果为微细通道热沉的设计提供参考。