Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system

Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and recrystallization of the alloys, but the detailed mechanisms have not yet been clarified. To enable atomistic simulations for investigating those behaviors, an interatomic potential for the Mg–Zn–Ca ternary system was developed. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg–Zn and Mg–Ca potentials with the newly developed Zn–Ca binary potential. The Zn–Ca and Mg–Zn–Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. The applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain.     

OPM3要素对项目组合管理能力影响的SD建模与仿真

根据组织项目管理成熟度模型（OPM3），确定影响项目组合管理能力的OPM3要素，分析OPM3要素与项目组合管理能力的因果关系，构建系统动力学模型，仿真模拟OPM3要素对项目组合管理能力的影响。仿真结果表明：OPM3要素与项目组合管理能力正相关；OPM3要素对项目组合管理能力的影响在短期内并不显著；在OPM3要素中，对项目组合管理能力影响较为显著的是战略执行与规划、组织领导能力和信息分析。     

Physics‐based model of lithium‐ion batteries running on a circuit simulator

The authors developed a physics‐based equivalent circuit model of a lithium‐ion battery (LIB) whose parameters are continually updated, reflecting the theoretical calculation results of the Butler‐Volmer equation, diffusion equations of the lithium‐ion and lithium, and Nernst equations of the liquid and solid phases. The developed model was applied to the charge/discharge simulations of an LIB, and the experimental and simulated results of constant current discharges and pulsed‐charge/discharge were found to be in excellent agreement. In particular, using the developed model, analyzing transient responses of the LIB derived from the transition of the electric double layer charging to the electrode reaction is possible. These results demonstrate that the electrochemical performance of an LIB can be calculated on a circuit simulator using the developed model.     

Effect of Operating Parameters on Gas‐Solid Hydrodynamics and Heat Transfer in a Spouted Bed

Through a combined computational fluid dynamics and discrete element method approach, the effect of the operating parameters on the hydrodynamics and heat‐transfer properties of gas‐solid two‐phase flows in a spouted bed are extensively investigated. Considering the high velocity in the fountain region, gas turbulence is resolved by employing the large‐eddy simulation. The rolling friction model is adopted for more precise predictions of solid behavior near the wall. Subsequently, the gas‐solid flow patterns, gas‐solid velocities, and temperature evolution are investigated. Moreover, different operating conditions and geometry configurations are evaluated with respect to heat‐transfer performance. The results provide a fundamental understanding of heat‐transfer mechanisms in spouted beds.     

Microscopic details of asphaltenes aggregation onset during waterflooding

We report detailed microscopic studies of asphaltenes aggregation onset during waterflooding of petroleum reservoirs. To achieve this objective, a series of simulations are performed on asphaltenic-oil miscibilized with water at high pressure and temperature through molecular dynamics. Results of this simulation onset are applicable to asphaltenes behavior in real crude oils. Our simulation results illustrate that the aggregation onset in waterflooding generally follows three sequential steps: (i) Asphaltene-water interaction; (ii) Water bridging; (iii) Face-to-face stacking. Then, asphaltene-water and water-water hydrogen-bonding network surround every aggregate boosting the intensity of aggregation onset. We intend to utilize such understanding of these details in our predictive and preventive measures of arterial blockage in oil reservoirs during waterflooding.     

Contribution of metal vapor mass at periphery part of pulsed arc to electromagnetic force in weld pool

The arc welding has been used in various welding methods because it is inexpensive and high in strength after welding. However, it is a problem that accidents such as collapse of the bridge occur because of the welding defects. The welding of low cost and high productivity is required without the welding defects. The pulsed TIG welding is inexpensive and capable of high‐quality welding. The electromagnetic force contributing to penetration changes because the transient response of arc temperature and iron vapor generated from anode occurs. However, the analysis of pulsed TIG welding with metal vapor has been elucidated only metal vapor concentration near anode with transient phenomenon and heat flux. Thus, the theoretical elucidation of penetration depth with control factor has not been researched. In this paper, the contribution of metal vapor mass at the periphery part of pulsed arc to the electromagnetic force in the weld pool is elucidated. As a result, the iron vapor mass at periphery part decreased with increasing the frequency. The iron vapor was stagnated at axial center within one cycle. The electromagnetic force to the penetration depth direction in weld pool increased at axial center. Therefore, the metal vapor mass at periphery part plays an important role for the electromagnetic force increment at axial center.     

Electromagnetic torque detecting for optimization of in-mould electromagnetic stirring in the billet and bloom continuous casting

ABSTRACT

In this paper, an electromagnetic torque device based on the theoretical model was established to determine the optimum frequency accurately and conveniently in billet and bloom continuous casting with in-mould electromagnetic stirring (M-EMS). Magnetic characteristics with M-EMS was investigated by numerical simulation and physical experiment with the application of electromagnetic torque device and gauss meter. In addition, the effects of stirring frequency with M-EMS on macro segregation and equiaxed crystal ratio were compared and analysed for 55SiCr with 150?mm?×?150?mm billet caster and BU with 310?×?360?mm bloom caster by a series of plant trials, respectively. The results showed that maximum magnetic flux density and maximum electromagnetic torque occurred with different frequency and same current in M-EMS, and central equiaxed crystal ratio and macro segregation has been significantly improved by optimum frequency with M-EMS.     

核电厂电气设备陶瓷部件受风生飞射物的冲击破坏

为研究沿海台风中的风生飞射物对核电厂电气设备的冲击破坏，以核电厂户外高压电气设备的陶瓷绝缘材料为研究对象，基于LS-DYNA和HyperMesh，分析陶瓷部件在小球和钢管打击下的破坏情况。结果表明：在受到钢管垂直打击时，陶瓷部件很容易发生破坏；在受到小球冲击时，陶瓷部件局部表面发生破坏。进一步计算得到小球对陶瓷部件的临界破坏冲击速度，可为后续设计和研究提供参考。     

钢包包衬侵蚀对内衬温度和钢水温降的影响

为了研究包衬侵蚀对钢水温降的影响规律,通过ANSYS有限元软件以及ParaMesh网格随移技术建立了考虑包衬侵蚀的钢包传热计算模型,研究并分析了包衬侵蚀对包衬及钢水温度的影响规律。结果表明,包衬侵蚀对包衬温度影响较大,在相邻两个修包周期内,包衬侵蚀造成渣线和包壁的包衬内部(工作层与永久层交界处)温差为14～114 K;包衬侵蚀导致包壳外表面温度升高,包壳向外散热增加,与此同时,包衬受侵蚀变薄,蓄热减少,两者同时作用导致包衬侵蚀对钢水温降影响不大,最高不超过1 K,在实际生产中可以适当地忽略钢包侵蚀对钢水温降的影响。     

一种人工情绪模型及其电商计算实验应用

针对电子商务顾客购物人工系统的计算实验研究，提出一种基于状态类比假说的人工情绪模型，给出了情绪的产生、增强、衰落和消失过程的描述方法，研究了外部刺激、情感强度和内部驱动力的计算方法，并进行了模拟分析。基于此人工情绪模型，构建了电商顾客购物的情绪-行为影响关系模型；将其应用于电商顾客购物的计算实验分析。结果表明，该人工情绪模型能较好地应用于电商复杂人工系统顾客购物的计算实验。