钢铁企业合同计划与余材匹配的集成优化方法

钢铁企业的合同计划和余材匹配的集成优化是解决钢铁企业面向订单生产的关键技术.由于该问题复杂,涉及因素多,求解难度大,对此提出一个带有提前拖期惩罚的联合计划优化的数学模型,并提出一种嵌有"优先适合启发式"的遗传算法.该方法利用背包问题的求解思路改进了染色体的性能,从而加快了遗传算法的求解速度.将该模型及算法应用于实际钢铁企业的计划编排中,取得了满意的效果.     

用Mathematica解热量传递过程中的数学问题

本文建议用数学软件Mathematica计算热量传递过程,包括用符号运算功能推导保温层临界直径,用曲线拟合法处理传热实验数据,用积分法求取传热系数为温度函数时的换热面积,用Solve等命令求解换热和保温过程所产生的非线性方程,用DSolve命令求解非稳态传热过程产生的微分方程等等。同时绘制出有关函数图形,准确、形象地展示计算过程和结果,方便教师讲解和学生理解,避免复杂、繁琐、耗时的手工计算,提高学生利用计算机解决热量传递问题的能力。     

“数据库原理与应用”课程实践教学的改革与探索

"数据库原理与应用"的实践教学是该课程的一个重要教学环节,对提高教学质量和培养学生能力起着决定性的作用。本文论述了该课程在课堂教学、课程设计和课外活动指导三个方面所作的一些实践教学改革和探索,取得了较好的效果。     

浅析绘画色彩的对比之美

用色彩对比语言用来产生视觉冲突,转换表现空间,树立视觉中心,表现艺术特质,抒发作者心境等,是各种视觉艺术中的重要艺术表现手段。只有达到色彩规律的自如掌握,色彩的组织结构语言纯熟于胸,才能达到"随心所欲而不逾距"的境界,达到色彩艺术的完美境界。     

Analyses of (AD)-sorption for the estimation of pore-network dimensions and structure

The interpretation of pore dimensions based on physical ad-desorption analyses is central to the characterization of pore network structure. Several approaches have been proposed and are commonly employed in the analysis of physical adsorption and/or desorption to deduce the dimensions of the porous network. These approaches assume either theoretical (e.g., BET, the Halsey equation as interpreted by Pierce et al., or the more recent analyses of microporosity) or standard isotherms as model(s) for the sequential calculations required in estimating the pore network dimensions. Subsequent representation of the pore dimensions and the relationship between these distributions in dimension and other experimental parameters (such as catalytic activity, adsorptivity or transport); thus, depend explicitly on the model employed in the analyses. Each instrument currently available for the measurement of porous solid structure by sorption employs the same specific models for the relationship between the volume ad-desorbed and the dimensions of the porous network that is being characterized.This paper analyzes the interpretation of porous dimensions based on the sequential calculations required in the analyses. A new approach is proposed which is based on a modification to current practices reflecting Halsey's original theory for the thickness of the adsorbed layer (as a function of P/P ₀). Further, the calculations of the incremental changes in the exposed surface area are discussed as they relate to pore network structure. A method is proposed to infer the differences in pore shape. Sorption data are analyzed by these new approaches, and these analyses will be compared with those approaches currently employed. Analyses based on these modified approaches provide a dramatically more consistent interpretation of the sorption data and the corresponding pore network structures.     

InAs基范德华异质结界面电荷转移特性第一性原理计算的研究进展

由低维InAs材料和其他二维层状材料堆叠而成的垂直范德华异质结构在纳米电子、光电子和量子信息等新兴领域中应用广泛。探索跨结界面的电荷转移机制对于全面理解该类器件的非凡特性至关重要。第一性原理计算在揭示界面电荷转移特性与各种能量稳定型InAs基范德华异质结的电、光、磁等原理物理特性和器件性能变化之间的内在关系方面发挥着不可比拟的作用。文中梳理、总结和探讨了近年来InAs基范德华异质结间界面电荷转移特性的理论研究工作与潜在的功能应用,提出在理论方法和计算精度方面大力发展第一性原理计算的几个途径,为更好地开展InAs基范德华异质结的基础科学研究和应用器件设计提供可借鉴的量化研究基础。     

Phase equilibria and microstructure development in Mg-rich Mg-Gd-Sr alloys: Experiments and CALPHAD assessment

Mg-Sr alloys are promising to fabricate orthopedic implants. The alloying of rare earth elements such as Gd may improve the comprehensive mechanical properties of Mg-Sr alloys. The information on the phase diagram and the microstructure development are required to design chemical composition and microstructure of Gd alloyed Mg-Sr alloys. The phase equilibria and the microstructure development in Mg-rich Mg-Gd-Sr alloys (Gd, Sr < 30 at. %) are experimentally investigated via phase identification, chemical analysis, and microstructure observation with respect to the annealed ternary alloys. The onset temperatures of liquid formation are measured by differential scanning calorimetry. A thermodynamic database of the Mg-rich Mg–Gd–Sr ternary system is developed for the first time via CALPHAD (CALculation of PHAse Diagram) approach assisted by First-Principles calculations. The thermodynamic calculations with the developed database enable a well reproduction of the experimental findings and the physical-metallurgical understanding of the microstructure formation in solidification and annealing.     

Fast Ion Transport in Li-Rich Alloy Anode for High-Energy-Density All Solid-State Lithium Metal Batteries

All-solid-state Li batteries (ASSLBs) with solid-polymer electrolytes are considered promising battery systems to achieve improved safety and high energy density. However, Li dendrite formation at the Li anode under high charging current density/capacity has limited their development. To tackle the issue, Li-metal alloying has been proposed as an alternative strategy to suppress Li dendrite growth in ASSLBs. One drawback of alloying is the relatively lower operating cell voltages, which will inevitably lower energy density compared to cells with pure Li anode. Herein, a Li-rich Li₁₃In₃ alloy electrode (LiRLIA) is proposed, where the Li₁₃In₃ alloy scaffold guides Li nucleation and hinders Li dendrite formation. Meanwhile, the free Li can recover Li's potential and facilitate fast charge transfer kinetics to realize high-energy-density ASSLBs. Benefitting from the stronger adsorption energy and lower diffusion energy barrier of Li on a Li₁₃In₃ substrate, Li prefers to deposit in the 3D Li₁₃In₃ scaffold selectively. Therefore, the Li–Li symmetric cell constructed with LiRLIA can operate at a high current density/capacity of 5 mA cm⁻²/5 mAh cm⁻² for almost 1000 h.     

Halogenated Ti3C2 MXenes Prepared by Microwave Molten Salt for Hg0 Photo-Oxidation

Ti₃C₂ MXenes with different halogen modifications are prepared rapidly and efficiently by microwave molten salt method, and the MXene surface functional group modification is successfully achieved to address the problems of low purity, complex functional groups, and uncontrollable energy band structure of MXenes obtained by traditional liquid phase etching. Among them, the modification of the iodine (I) functional group onto the surface of Ti₃C₂ changes the energy band structure and band gap, resulting in easier photoexcitation and more photogenerated carriers. The increased Fermi energy is closer to the conduction band, the decreased surface work function weakens the electron confinement ability. The photogenerated carriers can migrate to the surface of the material more easily with extended lifetime, so the activity of the catalyst is improved. Further, for gaseous monomeric mercury (Hg⁰) photo-oxidative removal, Ti₃C₂-I₂ exhibits 85.5% efficiency of Hg⁰ photo-oxidative removal under visible light. Based on the experimental characterization and density functional theory calculations, a mechanism for the photo-oxidative removal of Hg° from Ti₃C₂-I₂ MXene is proposed, which provides a valuable strategy for studying Ti₃C₂ MXenes in the field of photocatalysis.